UCSF

ZINC04015425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.46 2.88 -8.39 0 4 0 55 393.405 4
Mid Mid (pH 6-8) 4.46 3.4 -11.76 0 4 0 55 393.405 4
Mid Mid (pH 6-8) 4.64 4.21 -9.38 0 4 0 55 393.405 4
Mid Mid (pH 6-8) 4.64 3.3 -9.71 0 4 0 55 393.405 4

Activity (Go SEA)

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