UCSF

ZINC42453213

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.21 3.94 -35.32 4 4 1 68 211.264 5
Lo Low (pH 4.5-6) 1.21 4.32 -89.23 5 4 2 69 212.272 5

Activity (Go SEA)

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