UCSF

ZINC39914951

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 37 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) 6.77 11.7 -11.11 2 7 0 88 526.077 12
Mid Mid (pH 6-8) 6.77 12.47 -48.21 1 7 -1 91 525.069 12

Activity (Go SEA)

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