UCSF

ZINC39917171

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 26 Yes

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) 3.81 10.33 -38.25 1 4 1 26 349.502 4
Mid Mid (pH 6-8) 3.81 11 -80.46 2 4 2 27 350.51 4
Mid Mid (pH 6-8) 3.81 10.19 -31.36 1 4 1 26 349.502 4
Mid Mid (pH 6-8) 3.81 7.95 -8.82 0 4 0 24 348.494 4

Activity (Go SEA)

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