UCSF

ZINC08702286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 18 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) 1.80 5.68 -10.69 0 4 0 48 243.262 5
Lo Low (pH 4.5-6) 1.80 5.94 -38.66 1 4 1 50 244.27 5

Activity (Go SEA)

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