UCSF

ZINC20201212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.65 6 -38.06 2 3 1 33 239.383 7
Hi High (pH 8-9.5) 2.64 4.55 -3.31 1 3 0 28 238.375 7
Mid Mid (pH 6-8) 2.65 8.12 -121.54 3 3 2 34 240.391 7
Mid Mid (pH 6-8) 2.64 6.6 -35.49 2 3 1 30 239.383 7

Activity (Go SEA)

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