UCSF

ZINC20438809

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 5.89 -35.08 2 3 1 33 239.383 5
Hi High (pH 8-9.5) 2.28 4.09 -3.36 1 3 0 28 238.375 5
Mid Mid (pH 6-8) 2.28 8.01 -114.75 3 3 2 34 240.391 5
Mid Mid (pH 6-8) 2.28 6.74 -32.38 2 3 1 30 239.383 5

Activity (Go SEA)

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