UCSF

ZINC17028713

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) 3.12 9.16 -11.51 1 6 0 87 327.365 4
Mid Mid (pH 6-8) 3.12 8.6 -45.57 0 6 -1 89 326.357 5

Activity (Go SEA)

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