UCSF

ZINC00432425

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 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) 4.00 9.64 -7.75 1 3 0 30 249.317 3
Lo Low (pH 4.5-6) 4.00 9.67 -24.31 2 3 1 31 250.325 3

Activity (Go SEA)

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