UCSF

ZINC38002342

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 3.17 4.99 -44.58 3 3 1 46 306.249 5
Mid Mid (pH 6-8) 3.17 3.78 -9.14 2 3 0 41 305.241 5

Activity (Go SEA)

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