UCSF

ZINC17028358

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 23 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) 2.12 5.25 -17.85 2 7 0 92 311.345 4
Ref Reference (pH 7) 2.12 5.36 -16.19 2 7 0 92 311.345 4
Mid Mid (pH 6-8) 2.12 5.24 -19.55 2 7 0 92 311.345 4
Mid Mid (pH 6-8) 2.12 5.4 -12.16 2 7 0 92 311.345 4

Activity (Go SEA)

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