UCSF

ZINC37989784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 1.31 5.62 -37.19 2 5 1 56 267.349 6
Lo Low (pH 4.5-6) 1.31 6.84 -99.82 3 5 2 60 268.357 6
Lo Low (pH 4.5-6) 1.31 4.61 -35.39 2 5 1 59 267.349 6

Activity (Go SEA)

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