UCSF

ZINC37822529

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.61 5.75 -42.28 3 3 1 48 247.362 3
Mid Mid (pH 6-8) 0.61 5.42 -8.07 2 3 0 46 246.354 3

Activity (Go SEA)

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