UCSF

ZINC36777685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.14 8.48 -119.42 3 3 2 34 261.413 4
Hi High (pH 8-9.5) 3.14 7.33 -33.02 2 3 1 29 260.405 4
Hi High (pH 8-9.5) 3.14 6.03 -37.4 2 3 1 33 260.405 4
Mid Mid (pH 6-8) 3.14 6.13 -92.8 3 3 2 34 261.413 4

Activity (Go SEA)

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