UCSF

ZINC39884090

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 5.8 -20.43 3 10 0 143 502.574 3
Mid Mid (pH 6-8) 0.89 4.4 -53.42 2 10 -1 147 501.566 4
Mid Mid (pH 6-8) 0.89 4.44 -51.23 2 10 -1 147 501.566 4
Mid Mid (pH 6-8) 0.89 4.52 -51.32 2 10 -1 147 501.566 4
Mid Mid (pH 6-8) 0.89 5.27 -69.75 2 10 -1 147 501.566 4
Mid Mid (pH 6-8) 0.89 5.34 -69.77 2 10 -1 147 501.566 4
Mid Mid (pH 6-8) 0.89 4.49 -55.72 2 10 -1 147 501.566 4
Mid Mid (pH 6-8) 0.89 4.58 -55.74 2 10 -1 147 501.566 4
Mid Mid (pH 6-8) 0.89 4.32 -53.54 2 10 -1 147 501.566 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )