UCSF

ZINC40177004

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.87 4.96 -11.98 3 5 0 82 348.28 3
Mid Mid (pH 6-8) 3.17 4.7 -50.36 2 5 -1 85 347.272 3

Activity (Go SEA)

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