UCSF

ZINC37859825

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 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) 1.73 6.5 -104.18 4 3 2 41 262.397 5
Mid Mid (pH 6-8) 1.73 7 -37.14 3 3 1 44 261.389 5

Activity (Go SEA)

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