UCSF

ZINC37996924

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 3.83 6.78 -38.56 2 3 1 29 299.866 8
Mid Mid (pH 6-8) 3.83 8.9 -116.85 3 3 2 30 300.874 8
Mid Mid (pH 6-8) 3.83 7.64 -32.18 2 3 1 26 299.866 8

Activity (Go SEA)

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