UCSF

ZINC43477175

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 3.35 4.08 -44.68 3 3 1 50 269.777 4
Hi High (pH 8-9.5) 3.35 3.48 -37.91 1 3 -1 48 267.761 4
Hi High (pH 8-9.5) 3.35 2.71 -6.11 2 3 0 45 268.769 4

Activity (Go SEA)

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