UCSF

ZINC58357610

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 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) 1.44 4.67 -10.99 3 6 0 88 324.384 4
Lo Low (pH 4.5-6) 1.44 4.96 -39.65 4 6 1 90 325.392 4

Activity (Go SEA)

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