UCSF

ZINC29917677

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 23 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) 0.98 5.67 -20.38 3 6 0 90 306.325 4
Lo Low (pH 4.5-6) 0.98 6.18 -45.6 4 6 1 91 307.333 4

Activity (Go SEA)

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