UCSF

ZINC61808686

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) -3.00 -4.42 -45.02 6 8 1 132 259.286 6
Mid Mid (pH 6-8) -3.00 -5.81 -19.78 5 8 0 128 258.278 6

Activity (Go SEA)

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