UCSF

ZINC21794828

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.97 8.68 -38.5 3 2 1 37 369.71 5
Hi High (pH 8-9.5) 4.97 7.94 -7.33 2 2 0 32 368.702 5
Hi High (pH 8-9.5) 4.97 9.47 -39.21 2 2 0 40 368.702 5

Activity (Go SEA)

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