UCSF

ZINC37841363

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.65 7.01 -7.5 1 5 0 66 287.363 4
Hi High (pH 8-9.5) 3.11 5.21 -44.61 0 5 -1 69 286.355 4

Activity (Go SEA)

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