UCSF

ZINC34885527

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 25 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) 1.98 8.31 -53.78 2 5 1 59 340.378 3
Hi High (pH 8-9.5) 1.98 6.97 -16.17 1 5 0 54 339.37 3

Activity (Go SEA)

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