UCSF

ZINC42781342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.63 4.8 -10.52 1 4 0 53 248.204 4
Hi High (pH 8-9.5) 1.63 3.38 -32.54 1 4 0 58 248.204 4
Mid Mid (pH 6-8) 1.63 5.81 -50.75 0 4 -1 56 247.196 4

Activity (Go SEA)

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