UCSF

ZINC43395255

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -1.95 1.28 -58.02 3 6 -1 108 208.197 4
Mid Mid (pH 6-8) -1.95 1.6 -54.18 4 6 0 109 209.205 4

Activity (Go SEA)

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