UCSF

ZINC36638051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 5.71 14.22 -45.3 1 4 1 38 422.549 7
Hi High (pH 8-9.5) 5.71 11.87 -11.04 0 4 0 36 421.541 7

Activity (Go SEA)

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