UCSF

ZINC35719274

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 0.47 4.98 -36.42 4 4 1 68 247.347 4
Mid Mid (pH 6-8) 0.47 6.02 -7.9 3 4 0 66 246.339 4

Activity (Go SEA)

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