UCSF

ZINC00517185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 18 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) 2.86 10.13 -126.39 0 4 -2 80 250.294 5
Mid Mid (pH 6-8) 2.86 8.18 -44.83 1 4 -1 77 251.302 5
Mid Mid (pH 6-8) 2.86 8.17 -50.93 1 4 -1 77 251.302 5

Activity (Go SEA)

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