UCSF

ZINC49568628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 0.79 6.23 -191.97 4 3 3 25 212.361 2
Hi High (pH 8-9.5) 0.79 1.86 -38.54 2 3 1 23 210.345 2
Hi High (pH 8-9.5) 0.79 3.12 -31.46 2 3 1 20 210.345 2
Hi High (pH 8-9.5) 0.79 0.56 -1.22 1 3 0 19 209.337 2
Mid Mid (pH 6-8) 0.79 4.42 -83.57 3 3 2 24 211.353 2

Activity (Go SEA)

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