UCSF

ZINC18323899

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 20 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) 0.10 2.86 -37.68 2 6 -1 110 277.3 3
Mid Mid (pH 6-8) -0.57 2.03 -15.44 3 6 0 106 278.308 2

Activity (Go SEA)

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