UCSF

ZINC70617051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 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) -0.01 0.46 -42.71 3 4 1 55 187.263 4
Mid Mid (pH 6-8) -0.01 -0.7 -9.61 2 4 0 50 186.255 4

Activity (Go SEA)

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