UCSF

ZINC06813266

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.90 5.97 -63.57 0 7 -1 92 370.381 7
Mid Mid (pH 6-8) 2.34 0.68 -15.17 1 7 0 89 371.389 6
Mid Mid (pH 6-8) 1.31 0.72 -14.85 0 7 0 86 371.389 7

Activity (Go SEA)

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