UCSF

ZINC06621133

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) 3.39 8.71 -65.1 0 6 -1 79 410.49 7
Mid Mid (pH 6-8) 3.39 -0.98 -14.52 1 6 0 76 411.498 7
Mid Mid (pH 6-8) 2.81 -0.82 -24.33 0 6 0 72 411.498 7

Activity (Go SEA)

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