UCSF

ZINC43425979

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.45 5.02 -48.86 0 5 -1 66 264.301 3
Mid Mid (pH 6-8) 1.45 7.15 -60.76 1 5 0 67 265.309 3

Activity (Go SEA)

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