UCSF

ZINC36685204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 25 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) 2.07 8.49 -50.26 2 5 1 54 358.487 5
Mid Mid (pH 6-8) 2.07 6.63 -11.72 1 5 0 53 357.479 5

Activity (Go SEA)

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