UCSF

ZINC34468252

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 27 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) 2.96 10.88 -46.36 0 6 -1 83 399.883 4
Mid Mid (pH 6-8) 2.96 11.75 -46.82 1 6 0 85 400.891 4

Activity (Go SEA)

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