UCSF

ZINC42477060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.62 2.76 -48.59 4 4 1 70 226.325 2
Hi High (pH 8-9.5) 1.54 1.3 -7.7 3 4 0 71 225.317 1
Mid Mid (pH 6-8) 0.80 1.14 -42.29 3 4 0 76 225.317 2

Activity (Go SEA)

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