UCSF

ZINC45684753

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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 2.05 -188.3 6 4 3 57 206.354 8
Hi High (pH 8-9.5) -0.59 2.49 -108.55 5 4 2 60 205.346 8
Hi High (pH 8-9.5) -0.59 -0.72 -32.84 4 4 1 54 204.338 8
Mid Mid (pH 6-8) -0.59 -0.35 -91.24 5 4 2 56 205.346 8

Activity (Go SEA)

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