UCSF

ZINC61993842

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 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) 2.52 5.87 -37.89 2 4 1 35 328.23 6
Mid Mid (pH 6-8) 2.52 4.78 -50.17 2 4 1 38 328.23 6
Mid Mid (pH 6-8) 2.52 7.23 -125.89 3 4 2 40 329.238 6

Activity (Go SEA)

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