UCSF

ZINC19912889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 3.27 9.67 -99.75 3 2 2 21 284.394 6
Hi High (pH 8-9.5) 3.27 6 -3.55 1 2 0 15 282.378 6
Hi High (pH 8-9.5) 3.27 8.25 -32.09 2 2 1 16 283.386 6
Mid Mid (pH 6-8) 3.27 7.41 -36.61 2 2 1 20 283.386 6

Activity (Go SEA)

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