UCSF

ZINC32189527

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.25 9.97 -38.89 1 2 1 22 234.363 7
Mid Mid (pH 6-8) 3.25 7.64 -5.56 0 2 0 20 233.355 7

Activity (Go SEA)

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