UCSF

ZINC41665763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.35 5.43 -52.84 3 5 1 61 260.365 2
Mid Mid (pH 6-8) 0.35 7.33 -39.17 3 5 1 61 260.365 2
Mid Mid (pH 6-8) 0.35 7.65 -118.12 4 5 2 62 261.373 2

Activity (Go SEA)

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