UCSF

ZINC26482069

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 17 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) 1.67 2.65 -10.19 2 4 0 54 250.323 6
Lo Low (pH 4.5-6) 1.67 3.08 -35.9 3 4 1 56 251.331 6

Activity (Go SEA)

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