UCSF

ZINC32159645

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) 1.38 5.62 -105.17 3 5 2 43 297.443 10
Hi High (pH 8-9.5) 1.38 4.32 -36.8 2 5 1 38 296.435 10
Hi High (pH 8-9.5) 1.38 3.53 -39.48 2 5 1 42 296.435 10
Mid Mid (pH 6-8) 1.38 7.21 -87.02 3 5 2 39 297.443 10

Activity (Go SEA)

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