UCSF

ZINC37236783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.61 6.14 -35.7 2 5 1 56 281.376 6
Lo Low (pH 4.5-6) 1.61 7.37 -99.51 3 5 2 60 282.384 6
Lo Low (pH 4.5-6) 1.61 5.16 -35.36 2 5 1 59 281.376 6

Activity (Go SEA)

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