UCSF

ZINC36849071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 3.26 9.17 -41.35 3 2 1 37 290.471 5
Hi High (pH 8-9.5) 3.26 8.77 -2.05 2 2 0 35 289.463 5

Activity (Go SEA)

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