UCSF

ZINC36777245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.74 4.59 -104.66 4 4 2 48 278.444 6
Hi High (pH 8-9.5) 0.74 4.23 -35.53 3 4 1 47 277.436 6
Hi High (pH 8-9.5) 0.74 3.75 -29.33 3 4 1 47 277.436 6
Mid Mid (pH 6-8) 0.74 5.31 -181.24 5 4 3 49 279.452 6
Mid Mid (pH 6-8) 0.74 2.36 -38.55 3 4 1 47 277.436 6

Activity (Go SEA)

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