UCSF

ZINC20438804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) 2.28 5.94 -34.88 2 3 1 33 239.383 5
Hi High (pH 8-9.5) 2.28 4.16 -3.69 1 3 0 28 238.375 5
Mid Mid (pH 6-8) 2.28 8.1 -114.72 3 3 2 34 240.391 5
Mid Mid (pH 6-8) 2.28 7 -35.58 2 3 1 30 239.383 5

Activity (Go SEA)

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