UCSF

ZINC06621205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 30 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) 2.54 5.67 -60.25 1 7 -1 99 410.446 9
Mid Mid (pH 6-8) 2.54 -1.7 -14.15 2 7 0 96 411.454 9
Mid Mid (pH 6-8) 1.96 -1.84 -22.73 1 7 0 93 411.454 9

Activity (Go SEA)

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