UCSF

ZINC21817547

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 Yes

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) 3.05 7.29 -3.28 1 1 0 12 221.731 5
Mid Mid (pH 6-8) 3.05 8.52 -41.44 2 1 1 17 222.739 5

Activity (Go SEA)

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