UCSF

ZINC32126125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 0.73 3.61 -100.09 4 5 2 54 281.4 7
Mid Mid (pH 6-8) 0.73 1.25 -42.86 3 5 1 53 280.392 7

Activity (Go SEA)

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