UCSF

ZINC12449060

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 27 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) 1.03 7.68 -24.67 1 7 0 89 375.469 10
Lo Low (pH 4.5-6) 1.03 7.96 -58.46 2 7 1 90 376.477 10

Activity (Go SEA)

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