UCSF

ZINC37030988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 1.23 4.78 -48.06 3 4 1 69 248.331 3
Mid Mid (pH 6-8) 1.23 3.4 -12.79 2 4 0 65 247.323 3

Activity (Go SEA)

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