UCSF

ZINC06622016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 2.46 7.2 -66.85 0 6 -1 83 366.393 5
Mid Mid (pH 6-8) 2.46 -0.26 -15.25 1 6 0 79 367.401 5
Mid Mid (pH 6-8) 1.87 -0.37 -24.27 0 6 0 76 367.401 5

Activity (Go SEA)

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