UCSF

ZINC23995191

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 35 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) 2.35 6.77 -20.37 1 8 0 91 496.633 7
Hi High (pH 8-9.5) 2.35 5.83 -46.65 0 8 -1 93 495.625 7

Activity (Go SEA)

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