UCSF

ZINC36667757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 1.89 7.92 -50.86 1 4 1 55 225.312 5
Mid Mid (pH 6-8) 1.89 6.06 -8.37 0 4 0 53 224.304 5

Activity (Go SEA)

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