UCSF

ZINC05117619

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 17 No

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) 0.06 7.15 -51.15 2 7 1 88 241.271 5
Lo Low (pH 4.5-6) 0.06 7.63 -95.56 3 7 2 90 242.279 5

Activity (Go SEA)

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