UCSF

ZINC04869776

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 15 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) 0.91 2.72 -39.73 3 3 1 50 209.313 4
Lo Low (pH 4.5-6) 0.91 2.99 -91.05 4 3 2 51 210.321 4

Activity (Go SEA)

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