UCSF

ZINC37808097

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.88 6.8 -44.18 3 3 1 48 263.405 6
Mid Mid (pH 6-8) 2.88 6.47 -8.66 2 3 0 46 262.397 6

Activity (Go SEA)

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