UCSF

ZINC41514839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 No

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) 3.47 7.36 -40.11 2 5 1 58 385.509 4
Hi High (pH 8-9.5) 3.47 8.12 -50.53 1 5 0 61 384.501 4
Hi High (pH 8-9.5) 3.47 5.1 -7.49 1 5 0 57 384.501 4
Hi High (pH 8-9.5) 3.47 5.85 -43 0 5 -1 60 383.493 4

Activity (Go SEA)

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