UCSF

ZINC36881894

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.78 3.98 -35.76 0 4 -1 72 257.722 5
Mid Mid (pH 6-8) 1.78 3.8 -17.89 1 4 0 70 258.73 5

Activity (Go SEA)

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