UCSF

ZINC34960592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 3.12 4.52 -4.87 2 3 0 48 214.334 7
Lo Low (pH 4.5-6) 3.12 4.98 -26.65 3 3 1 49 215.342 7

Activity (Go SEA)

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