UCSF

ZINC09012545

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 33 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) 3.97 8.54 -49.83 0 6 -1 73 492.354 7
Mid Mid (pH 6-8) 3.39 -0.15 -48.43 1 6 1 68 494.37 7
Mid Mid (pH 6-8) 3.97 10.89 -65.13 1 6 0 74 493.362 7

Activity (Go SEA)

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