UCSF

ZINC25258469

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 34 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) 4.59 9.09 -71.5 2 7 0 85 499.036 6
Mid Mid (pH 6-8) 4.59 9.02 -49.86 3 7 1 83 500.044 6
Mid Mid (pH 6-8) 4.59 6.62 -44.52 1 7 -1 84 498.028 6

Activity (Go SEA)

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