UCSF

ZINC04736826

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 26 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) 3.79 8.57 -24.63 1 6 0 69 372.494 8
Mid Mid (pH 6-8) 4.07 -2.22 -46.2 1 6 1 68 373.502 8

Activity (Go SEA)

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