UCSF

ZINC37430187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 19 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) 0.47 4.27 -49.05 2 6 -1 98 271.337 9
Lo Low (pH 4.5-6) 0.47 2.29 -12.44 3 6 0 95 272.345 9

Activity (Go SEA)

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