UCSF

ZINC34529123

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 4.88 7.56 -8.49 1 2 0 33 271.319 1
Hi High (pH 8-9.5) 4.88 8.33 -52.67 0 2 -1 36 270.311 1
Lo Low (pH 4.5-6) 4.88 8.05 -32.12 2 2 1 34 272.327 1

Activity (Go SEA)

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