UCSF

ZINC42453189

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.50 4.68 -77.58 5 5 2 82 223.324 5
Mid Mid (pH 6-8) 0.50 4.28 -37.3 4 5 1 81 222.316 5

Activity (Go SEA)

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