UCSF

ZINC40088604

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 20 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) 3.35 5.37 -6.65 2 2 0 32 342.183 5
Lo Low (pH 4.5-6) 3.35 6.74 -49.45 3 2 1 37 343.191 5

Activity (Go SEA)

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