UCSF

ZINC37150538

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) 3.74 9.58 -35.55 2 2 1 16 273.444 5
Lo Low (pH 4.5-6) 3.74 10.72 -113.18 3 2 2 21 274.452 5
Lo Low (pH 4.5-6) 3.74 8.5 -41.89 2 2 1 20 273.444 5

Activity (Go SEA)

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