UCSF

ZINC26507975

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 1.81 7.61 -66.02 0 4 -1 62 264.688 2
Mid Mid (pH 6-8) 1.81 6.52 -43.98 1 4 0 65 265.696 2

Activity (Go SEA)

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