UCSF

ZINC43394818

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 3.04 7.82 -32.78 2 3 1 43 236.335 5
Mid Mid (pH 6-8) 3.04 6.72 -4.05 1 3 0 38 235.327 5

Activity (Go SEA)

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