UCSF

ZINC20447680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 21 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) 0.89 4.63 -14.92 1 5 0 60 284.315 4
Lo Low (pH 4.5-6) 0.89 5.08 -49.67 2 5 1 62 285.323 4

Activity (Go SEA)

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