UCSF

ZINC39952240

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 23 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) 3.23 9.58 -46.27 2 4 1 46 311.405 5
Mid Mid (pH 6-8) 3.23 8.48 -8.24 1 4 0 42 310.397 5

Activity (Go SEA)

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