UCSF

ZINC08815726

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 33 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) 5.40 8.61 -10.45 2 6 0 81 443.547 6
Lo Low (pH 4.5-6) 5.40 8.95 -44.36 3 6 1 82 444.555 6

Activity (Go SEA)

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