UCSF

ZINC08964851

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 31 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) 0.69 1.1 -21.8 6 14 0 210 430.381 6
Mid Mid (pH 6-8) 0.69 0.94 -54.37 6 14 0 213 430.381 6

Activity (Go SEA)

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