UCSF

ZINC36950623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 1.28 3.35 -37.51 3 3 1 40 237.367 8
Hi High (pH 8-9.5) 1.28 1.92 -3.29 2 3 0 35 236.359 8
Hi High (pH 8-9.5) 1.28 4.3 -34.87 3 3 1 37 237.367 8
Mid Mid (pH 6-8) 1.28 6.26 -37.84 3 3 1 44 237.367 8

Activity (Go SEA)

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