UCSF

ZINC22592490

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 22 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) -0.23 4.3 -39.45 3 7 0 95 307.35 6
Lo Low (pH 4.5-6) -0.23 5.5 -104.83 4 7 1 100 308.358 6

Activity (Go SEA)

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