UCSF

ZINC37142139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 3.78 8.05 -34.34 2 2 1 16 293.397 3
Mid Mid (pH 6-8) 3.78 6.6 -40.57 2 2 1 20 293.397 3
Mid Mid (pH 6-8) 3.78 8.91 -107.11 3 2 2 21 294.405 3

Activity (Go SEA)

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