UCSF

ZINC19900999

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) 4.13 8.58 -40.75 2 2 1 20 277.476 9
Hi High (pH 8-9.5) 4.13 7.4 -1.5 1 2 0 15 276.468 9
Mid Mid (pH 6-8) 4.13 9.63 -30.67 2 2 1 16 277.476 9
Mid Mid (pH 6-8) 4.13 10.65 -114.47 3 2 2 21 278.484 9

Activity (Go SEA)

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