UCSF

ZINC06621230

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 29 No

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) 3.43 8.31 -61.55 0 6 -1 79 414.865 8
Mid Mid (pH 6-8) 3.42 0.03 -11.12 1 6 0 76 415.873 8
Mid Mid (pH 6-8) 2.84 -0.05 -18.27 0 6 0 72 415.873 8

Activity (Go SEA)

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