UCSF

ZINC13566728

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 15 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) 1.10 5.31 -31.28 2 3 1 31 200.265 1
Hi High (pH 8-9.5) 1.10 4.87 -6.52 1 3 0 30 199.257 1
Mid Mid (pH 6-8) 1.10 6.66 -110.26 3 3 2 36 201.273 1

Activity (Go SEA)

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