UCSF

ZINC36888776

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) 1.76 6.24 -115.91 3 2 2 21 216.275 5
Hi High (pH 8-9.5) 1.76 4.79 -37.65 2 2 1 16 215.267 5
Hi High (pH 8-9.5) 1.76 2.47 -5 1 2 0 15 214.259 5
Mid Mid (pH 6-8) 1.76 3.92 -42.06 2 2 1 20 215.267 5

Activity (Go SEA)

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