UCSF

ZINC17778204

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 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) 2.48 4.57 -62.21 1 6 -1 90 386.811 6
Mid Mid (pH 6-8) 1.90 5.41 -10.73 1 6 0 84 387.819 6
Mid Mid (pH 6-8) 2.48 5.03 -11.89 2 6 0 87 387.819 6

Activity (Go SEA)

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