UCSF

ZINC36861675

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) -0.78 -2.62 -17.79 4 6 0 105 243.288 2
Mid Mid (pH 6-8) -1.23 -4.46 -60.68 4 6 1 103 244.296 2

Activity (Go SEA)

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