UCSF

ZINC08701451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 17 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) 1.85 2.51 -8.85 3 5 0 73 233.271 4
Lo Low (pH 4.5-6) 1.85 2.75 -25.53 4 5 1 74 234.279 4

Activity (Go SEA)

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