UCSF

ZINC06782330

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 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) 3.40 8.11 -62.37 0 6 -1 83 382.436 8
Mid Mid (pH 6-8) 3.40 7.3 -15.49 1 6 0 80 383.444 8

Activity (Go SEA)

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