UCSF

ZINC37805278

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -1.84 0 -52.45 4 7 1 97 269.325 4
Hi High (pH 8-9.5) -1.84 -0.41 -13.82 3 7 0 96 268.317 4

Activity (Go SEA)

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