UCSF

ZINC37839989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.66 -2.61 -19.39 2 8 0 103 314.367 4
Hi High (pH 8-9.5) -0.20 -4.65 -50.17 1 8 -1 106 313.359 4
Mid Mid (pH 6-8) -0.66 -0.44 -57.65 3 8 1 104 315.375 4

Activity (Go SEA)

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