UCSF

ZINC43415713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.95 7.77 -50.51 3 4 1 63 276.404 9
Mid Mid (pH 6-8) 1.95 6.19 -8.58 2 4 0 62 275.396 9

Activity (Go SEA)

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