UCSF

ZINC43426991

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 4.04 9.05 -6.74 0 3 0 25 302.805 2
Mid Mid (pH 6-8) 4.04 9.46 -26.12 1 3 1 27 303.813 2

Activity (Go SEA)

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