UCSF

ZINC37787478

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 4.26 9.26 -5.89 1 3 0 30 285.435 5
Mid Mid (pH 6-8) 4.26 9.39 -24.69 2 3 1 31 286.443 5

Activity (Go SEA)

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