UCSF

ZINC42392303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 19 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) 2.17 5.7 -95.68 4 3 2 35 348.354 5
Hi High (pH 8-9.5) 2.17 5.64 -35.42 3 3 1 34 347.346 5
Mid Mid (pH 6-8) 2.17 7.51 -97.33 4 3 2 35 348.354 5

Activity (Go SEA)

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