UCSF

ZINC42580225

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 3.06 6.87 -41.88 3 2 1 31 273.444 5
Hi High (pH 8-9.5) 3.06 6.31 -1.48 2 2 0 29 272.436 5
Mid Mid (pH 6-8) 3.06 7.93 -30.68 3 2 1 30 273.444 5
Mid Mid (pH 6-8) 3.06 8.32 -123.65 4 2 2 32 274.452 5

Activity (Go SEA)

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