UCSF

ZINC37031997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 3.47 7.96 -36.51 2 2 1 29 233.379 4
Lo Low (pH 4.5-6) 3.47 8.43 -98.36 3 2 2 31 234.387 4

Activity (Go SEA)

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