UCSF

ZINC37043635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.82 4.33 -48.4 2 6 -1 102 405.193 4
Hi High (pH 8-9.5) 2.82 4.35 -101.58 1 6 -2 104 404.185 4

Activity (Go SEA)

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