UCSF

ZINC39294841

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 23 Yes

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) 1.87 11.47 -66.13 0 4 -1 62 375.173 2
Mid Mid (pH 6-8) 1.87 10.62 -28.48 1 4 0 65 376.181 2

Activity (Go SEA)

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