UCSF

ZINC02882935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 24 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) 1.75 2.31 -11.99 1 7 0 105 337.364 5
Lo Low (pH 4.5-6) 1.75 2.79 -46 2 7 1 106 338.372 5

Activity (Go SEA)

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