UCSF

ZINC36705124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 37 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) 5.27 11.33 -20.15 0 7 0 72 515.635 9
Lo Low (pH 4.5-6) 5.27 13.59 -64.12 1 7 1 73 516.643 9

Activity (Go SEA)

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