UCSF

ZINC36997821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 4.28 8.92 -2.82 1 1 0 12 259.78 5
Mid Mid (pH 6-8) 4.28 10.11 -40.01 2 1 1 17 260.788 5

Activity (Go SEA)

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