UCSF

ZINC34559597

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.03 10.78 -45.21 2 4 1 46 351.449 4
Lo Low (pH 4.5-6) 3.03 11.24 -104 3 4 2 47 352.457 4

Activity (Go SEA)

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