UCSF

ZINC08585599

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2007 12 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) 0.07 1.1 -14.9 4 6 0 100 185.574 0
Hi High (pH 8-9.5) 0.53 -0.3 -45.85 3 6 -1 104 184.566 0

Activity (Go SEA)

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