UCSF

ZINC20056374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 0.70 5.57 -62.75 2 5 1 70 240.327 6
Hi High (pH 8-9.5) 0.70 4.28 -12.95 1 5 0 65 239.319 6

Activity (Go SEA)

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