UCSF

ZINC37833346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.96 3.59 -8.76 0 4 0 33 238.331 3
Mid Mid (pH 6-8) 0.96 5.59 -47 1 4 1 34 239.339 3

Activity (Go SEA)

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