UCSF

ZINC42743335

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 0.18 1.33 -42.79 3 4 1 53 238.355 7
Hi High (pH 8-9.5) 0.18 1.5 -3.78 2 4 0 51 237.347 7
Mid Mid (pH 6-8) 0.18 3.69 -29.31 3 4 1 53 238.355 7
Mid Mid (pH 6-8) 0.18 3.5 -117.16 4 4 2 54 239.363 7

Activity (Go SEA)

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