UCSF

ZINC32148712

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) 2.68 5.14 -54.53 3 4 1 55 292.33 7
Hi High (pH 8-9.5) 2.68 3.66 -11.55 2 4 0 51 291.322 7
Hi High (pH 8-9.5) 2.68 6.08 -76.27 2 4 0 58 291.322 7

Activity (Go SEA)

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