UCSF

ZINC19398155

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -0.64 4.4 -52.57 2 6 -1 98 252.294 7
Mid Mid (pH 6-8) -0.64 4.92 -68.02 3 6 0 99 253.302 7
Mid Mid (pH 6-8) -0.64 5.3 -63.8 2 6 -1 98 252.294 7

Activity (Go SEA)

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