UCSF

ZINC04901617

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 22 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) 1.42 -1.96 -12.89 2 6 0 88 299.282 4
Mid Mid (pH 6-8) 0.84 -2.12 -17.33 1 6 0 85 299.282 4

Activity (Go SEA)

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