UCSF

ZINC35660514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) -0.96 -1.53 -45.65 4 5 1 87 224.215 3
Mid Mid (pH 6-8) -0.96 -1.92 -7.43 3 5 0 85 223.207 3

Activity (Go SEA)

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