UCSF

ZINC37851381

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.65 1.72 -44.77 4 4 1 66 309.213 8
Hi High (pH 8-9.5) 2.65 0.63 -7.97 3 4 0 62 308.205 8

Activity (Go SEA)

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