UCSF

ZINC26518544

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 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) 3.98 9.74 -8.38 1 4 0 36 335.451 4
Lo Low (pH 4.5-6) 3.98 11.32 -42.46 2 4 1 37 336.459 4

Activity (Go SEA)

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