UCSF

ZINC34680516

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 26 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) 3.47 9.53 -46.52 3 5 1 62 353.49 4
Lo Low (pH 4.5-6) 3.47 9.86 -97.72 4 5 2 63 354.498 4

Activity (Go SEA)

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