UCSF

ZINC14075420

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.79 11.39 -20.71 0 6 0 64 406.511 6
Mid Mid (pH 6-8) 3.79 11.81 -37.21 1 6 1 65 407.519 6

Activity (Go SEA)

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