UCSF

ZINC34553026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.29 7.19 -7.05 0 2 0 22 223.275 2
Lo Low (pH 4.5-6) 3.29 7.62 -35.53 1 2 1 23 224.283 2
Lo Low (pH 4.5-6) 3.29 7.62 -35.54 1 2 1 23 224.283 2

Activity (Go SEA)

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