UCSF

ZINC37141076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.73 10.57 -32.8 2 2 1 16 328.307 5
Mid Mid (pH 6-8) 3.73 8.73 -40.1 2 2 1 20 328.307 5

Activity (Go SEA)

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