UCSF

ZINC36874640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.34 7.72 -34.48 3 2 1 30 269.359 3
Lo Low (pH 4.5-6) 1.34 8.05 -128.72 4 2 2 32 270.367 3

Activity (Go SEA)

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