UCSF

ZINC20253072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.18 5.46 -29.8 2 3 1 29 240.396 5
Hi High (pH 8-9.5) 1.18 3.14 -3.7 1 3 0 28 239.388 5
Mid Mid (pH 6-8) 1.18 4.4 -34.79 2 3 1 33 240.396 5
Mid Mid (pH 6-8) 1.18 6.57 -111.97 3 3 2 34 241.404 5

Activity (Go SEA)

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