UCSF

ZINC37097145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.15 7.93 -31.12 3 2 1 30 233.379 6
Mid Mid (pH 6-8) 1.15 8.28 -120.31 4 2 2 32 234.387 6

Activity (Go SEA)

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