UCSF

ZINC19488486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 0.56 2.79 -35.09 2 4 1 40 226.344 1
Hi High (pH 8-9.5) 0.56 1.56 -7.42 1 4 0 36 225.336 1
Mid Mid (pH 6-8) 0.56 5.17 -92.81 3 4 2 41 227.352 1

Activity (Go SEA)

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