UCSF

ZINC32073110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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) 0.63 5.68 -96.84 3 5 2 45 322.428 3
Hi High (pH 8-9.5) 0.63 2 -8.83 1 5 0 39 320.412 3
Mid Mid (pH 6-8) 0.63 5.41 -105.33 3 5 2 45 322.428 3
Mid Mid (pH 6-8) 0.63 4.44 -41.05 2 5 1 40 321.42 3
Mid Mid (pH 6-8) 0.63 3.31 -52.33 2 5 1 43 321.42 3

Activity (Go SEA)

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