UCSF

ZINC37857998

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 29 No

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) 4.08 8.72 -40.3 2 6 1 73 416.881 5
Mid Mid (pH 6-8) 4.08 9.3 -27.88 1 6 0 76 415.873 5

Activity (Go SEA)

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