UCSF

ZINC29194460

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 24 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) 3.45 6.84 -27.2 2 6 0 80 350.35 4
Hi High (pH 8-9.5) 2.97 6.95 -136.6 0 6 -2 89 348.334 4
Hi High (pH 8-9.5) 2.97 5.93 -62.19 1 6 -1 86 349.342 4
Mid Mid (pH 6-8) 3.45 7.86 -70.74 1 6 -1 83 349.342 4

Activity (Go SEA)

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