UCSF

ZINC40466643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 28 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) -0.43 8.81 -102.97 3 7 0 102 389.427 5
Mid Mid (pH 6-8) -3.18 7.36 -79.9 4 7 1 105 390.435 4

Activity (Go SEA)

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