UCSF

ZINC40764253

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 21 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) 2.58 4.89 -79.69 5 4 2 55 308.857 8
Hi High (pH 8-9.5) 2.58 3.26 -6.49 3 4 0 49 306.841 8
Hi High (pH 8-9.5) 2.58 4.47 -44.18 4 4 1 54 307.849 8
Mid Mid (pH 6-8) 2.58 5.82 -135.69 5 4 2 58 308.857 8
Mid Mid (pH 6-8) 2.58 6.24 -192.39 6 4 3 59 309.865 8

Activity (Go SEA)

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