UCSF

ZINC07137777

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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) 2.63 12.17 -39.42 2 4 1 34 341.863 8
Mid Mid (pH 6-8) 2.63 11.66 -14.8 1 4 0 33 340.855 8

Activity (Go SEA)

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