UCSF

ZINC37786623

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 3.37 7.25 -34.5 2 4 1 34 253.414 9
Hi High (pH 8-9.5) 3.37 5.13 -4.06 1 4 0 33 252.406 9

Activity (Go SEA)

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