UCSF

ZINC36888994

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.05 6.48 -15.81 2 3 0 46 353.166 2
Lo Low (pH 4.5-6) 1.06 6.78 -40.03 3 3 1 48 354.174 2

Activity (Go SEA)

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