UCSF

ZINC34686909

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 2.52 6.27 -13.31 0 6 0 49 373.449 8
Lo Low (pH 4.5-6) 2.52 8.54 -51.67 1 6 1 51 374.457 8

Activity (Go SEA)

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