UCSF

ZINC26377937

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 24 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) 0.45 4.61 -21.36 1 7 0 79 350.444 4
Mid Mid (pH 6-8) 0.45 6.79 -66.8 2 7 1 80 351.452 4

Activity (Go SEA)

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