UCSF

ZINC17123228

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 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) 4.50 11.94 -62.05 0 5 -1 70 410.449 6
Mid Mid (pH 6-8) 4.51 11.53 -13.19 1 5 0 67 411.457 6
Mid Mid (pH 6-8) 3.92 12.22 -22.23 0 5 0 64 411.457 6

Activity (Go SEA)

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