UCSF

ZINC41518186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 3.61 8.53 -44.27 2 3 1 35 304.454 4
Mid Mid (pH 6-8) 3.61 7.34 -5.76 1 3 0 30 303.446 4

Activity (Go SEA)

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