UCSF

ZINC37118386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 2.26 4.53 -10.31 3 3 0 55 272.323 6
Lo Low (pH 4.5-6) 2.26 5.89 -59.43 4 3 1 60 273.331 6

Activity (Go SEA)

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