UCSF

ZINC37049677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.98 5.28 -44.28 3 3 1 34 294.438 6
Lo Low (pH 4.5-6) 1.98 6.64 -115 4 3 2 35 295.446 6

Activity (Go SEA)

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