UCSF

ZINC20536955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 27 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) 3.06 10.68 -96.07 2 4 2 21 379.564 8
Hi High (pH 8-9.5) 3.06 11.07 -78.54 2 4 2 21 379.564 8
Hi High (pH 8-9.5) 3.06 8.7 -37.22 1 4 1 20 378.556 8

Activity (Go SEA)

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