UCSF

ZINC36888715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 0.59 4.86 -49.05 2 4 1 56 209.269 6
Mid Mid (pH 6-8) 0.59 3.73 -6.88 1 4 0 51 208.261 6

Activity (Go SEA)

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