UCSF

ZINC32129700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.45 4.39 -60.38 3 5 1 66 285.323 4
Mid Mid (pH 6-8) 1.45 4.01 -14.99 2 5 0 65 284.315 4

Activity (Go SEA)

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