UCSF

ZINC20092044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.27 2.68 -36.36 3 4 1 49 265.377 6
Hi High (pH 8-9.5) 2.27 3.46 -31 2 4 0 52 264.369 6
Mid Mid (pH 6-8) 2.27 3.63 -36.04 3 4 1 46 265.377 6
Lo Low (pH 4.5-6) 2.27 5.04 -111.13 4 4 2 51 266.385 6

Activity (Go SEA)

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