UCSF

ZINC37433087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 19 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) -1.31 2.82 -57.66 2 7 -1 115 266.277 4
Mid Mid (pH 6-8) -0.85 0.46 -111.08 1 7 -2 118 265.269 4

Activity (Go SEA)

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