UCSF

ZINC42461413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.15 0.49 -50.52 3 4 1 53 236.339 3
Hi High (pH 8-9.5) 0.15 -0.27 -5.06 2 4 0 51 235.331 3
Lo Low (pH 4.5-6) 0.15 0.97 -102.35 4 4 2 54 237.347 3

Activity (Go SEA)

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