UCSF

ZINC41362519

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 21 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) 1.71 5.97 -44.22 2 4 1 37 294.394 6
Hi High (pH 8-9.5) 1.71 3.59 -13.52 1 4 0 36 293.386 6
Hi High (pH 8-9.5) 1.71 5.85 -47.22 2 4 1 37 294.394 6

Activity (Go SEA)

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