UCSF

ZINC37236933

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) 1.81 6.36 -37.82 2 5 1 56 281.376 7
Lo Low (pH 4.5-6) 1.81 7.58 -101.49 3 5 2 60 282.384 7
Lo Low (pH 4.5-6) 1.81 5.36 -35.4 2 5 1 59 281.376 7

Activity (Go SEA)

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