UCSF

ZINC36870073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) -1.07 0.76 -15.12 3 7 0 109 284.341 3
Mid Mid (pH 6-8) -1.07 1.2 -50.57 4 7 1 110 285.349 3

Activity (Go SEA)

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