UCSF

ZINC36683678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) 2.56 8.22 -36.73 3 2 1 30 239.342 2
Mid Mid (pH 6-8) 2.56 5.71 -4.34 2 2 0 29 238.334 2

Activity (Go SEA)

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