UCSF

ZINC51817040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 15 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) 0.06 1.73 -52.64 1 5 -1 76 209.225 3
Mid Mid (pH 6-8) 0.06 -0.34 -29.96 2 5 0 78 210.233 3
Mid Mid (pH 6-8) 0.06 0.73 -10.69 2 5 0 74 210.233 3

Activity (Go SEA)

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