UCSF

ZINC44415395

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 15 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) 0.66 5.19 -61.54 1 4 0 48 214.309 5
Mid Mid (pH 6-8) 0.66 7.68 -93.57 2 4 1 49 215.317 5
Mid Mid (pH 6-8) 0.66 5.43 -44.13 1 4 0 48 214.309 5

Activity (Go SEA)

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