UCSF

ZINC48355029

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 22 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) 2.15 2.08 -46.11 2 5 -1 91 325.316 4
Mid Mid (pH 6-8) 2.15 2.02 -13.86 3 5 0 89 326.324 4

Activity (Go SEA)

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