UCSF

ZINC43981304

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.88 6.99 -28.77 2 3 1 29 245.431 9
Mid Mid (pH 6-8) 2.88 5.62 -28.68 2 3 1 26 245.431 9

Activity (Go SEA)

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