UCSF

ZINC32014350

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 1.43 5.5 -112.51 4 3 2 41 224.348 7
Mid Mid (pH 6-8) 1.43 3.16 -44.47 3 3 1 40 223.34 7

Activity (Go SEA)

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