UCSF

ZINC06292082

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 26 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) 4.12 8.72 -17.61 2 6 0 84 369.446 6
Lo Low (pH 4.5-6) 4.12 9.1 -40.8 3 6 1 85 370.454 6

Activity (Go SEA)

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