UCSF

ZINC42434204

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) -0.01 0.25 -10.36 2 6 0 82 246.27 2
Hi High (pH 8-9.5) -0.01 0.13 -43.6 1 6 -1 80 245.262 2

Activity (Go SEA)

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