UCSF

ZINC41633136

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.75 4.73 -12.67 2 8 0 114 348.384 6
Mid Mid (pH 6-8) 2.21 3 -45.98 1 8 -1 117 347.376 6

Activity (Go SEA)

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