UCSF

ZINC41705429

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 1.15 4.31 -46.32 3 5 1 57 264.349 2
Mid Mid (pH 6-8) 1.15 1.95 -9.44 2 5 0 56 263.341 2

Activity (Go SEA)

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