UCSF

ZINC34589252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 11 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) 1.31 -1.23 -9.81 3 4 0 72 180.273 6
Hi High (pH 8-9.5) 1.31 -1.57 -38.17 2 4 -1 74 179.265 6

Activity (Go SEA)

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