UCSF

ZINC46230096

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2010 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) 2.81 8.57 -40.26 1 3 1 21 274.31 4
Mid Mid (pH 6-8) 2.81 6.35 -3.99 0 3 0 19 273.302 4

Activity (Go SEA)

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