UCSF

ZINC20125344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.27 1.17 -55.78 4 5 1 75 265.333 5
Hi High (pH 8-9.5) 1.27 -0.11 -15.88 3 5 0 71 264.325 5
Hi High (pH 8-9.5) 1.27 1.96 -78.18 3 5 0 78 264.325 5

Activity (Go SEA)

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