UCSF

ZINC39914391

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 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) 7.31 12.4 -12.49 2 7 0 88 526.077 12
Mid Mid (pH 6-8) 7.31 13.16 -48.97 1 7 -1 91 525.069 12

Activity (Go SEA)

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