UCSF

ZINC06621247

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) 3.04 8.12 -64.68 0 6 -1 79 394.447 9
Mid Mid (pH 6-8) 3.04 0.02 -15.87 1 6 0 76 395.455 9
Mid Mid (pH 6-8) 2.46 -0.11 -25.94 0 6 0 72 395.455 9

Activity (Go SEA)

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