UCSF

ZINC21270346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 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) 2.40 5.65 -43.83 1 4 1 42 310.226 2
Mid Mid (pH 6-8) 2.40 3.23 -8.79 0 4 0 41 309.218 2

Activity (Go SEA)

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