UCSF

ZINC37984849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 17 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) 2.54 4.49 -47.35 3 3 1 46 321.26 8
Mid Mid (pH 6-8) 2.54 3.14 -6.17 2 3 0 41 320.252 8

Activity (Go SEA)

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