UCSF

ZINC37039411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.73 5.14 -102.71 5 5 2 64 272.437 8
Mid Mid (pH 6-8) 1.73 2.94 -49.81 4 5 1 63 271.429 8

Activity (Go SEA)

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