UCSF

ZINC21516712

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 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) 2.37 6.17 -130.44 4 4 2 51 304.381 9
Mid Mid (pH 6-8) 2.37 4 -51.27 3 4 1 49 303.373 9

Activity (Go SEA)

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