UCSF

ZINC06782331

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 27 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) 3.13 7.79 -64.01 0 6 -1 83 368.409 7
Mid Mid (pH 6-8) 3.58 1.43 -21.6 1 6 0 79 369.417 6
Mid Mid (pH 6-8) 2.55 1.32 -13.33 0 6 0 76 369.417 7

Activity (Go SEA)

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