UCSF

ZINC12180864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2008 32 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) 6.35 10.51 -16.26 1 6 0 81 465.6 5
Mid Mid (pH 6-8) 6.35 9.83 -57.79 0 6 -1 83 464.592 5
Mid Mid (pH 6-8) 6.35 10.54 -63.51 0 6 -1 83 464.592 5

Activity (Go SEA)

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