UCSF

ZINC20047852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 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) 1.26 4.54 -38.7 3 4 1 46 254.398 7
Hi High (pH 8-9.5) 1.26 2.64 -7.45 2 4 0 44 253.39 7
Mid Mid (pH 6-8) 1.26 5.94 -105.71 4 4 2 50 255.406 7
Mid Mid (pH 6-8) 1.26 3.66 -44.12 3 4 1 49 254.398 7

Activity (Go SEA)

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