UCSF

ZINC58160414

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 22 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) 2.67 4.68 -20.18 2 6 0 84 323.418 7
Hi High (pH 8-9.5) 3.13 4.22 -42.03 2 6 0 92 323.418 7
Mid Mid (pH 6-8) 2.67 5.93 -57.59 3 6 1 89 324.426 7

Activity (Go SEA)

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