UCSF

ZINC36890149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.53 4.76 -42.8 0 3 -1 49 239.678 5
Mid Mid (pH 6-8) 1.79 7.44 -17.09 0 3 0 43 240.686 6

Activity (Go SEA)

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