UCSF

ZINC11616873

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 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) -0.75 -9.02 -12.08 5 9 0 134 252.234 2
Mid Mid (pH 6-8) -0.75 -8.82 -34.04 6 9 1 136 253.242 2
Mid Mid (pH 6-8) -0.75 -8.82 -36.41 6 9 1 136 253.242 2

Activity (Go SEA)

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