UCSF

ZINC36891041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 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) 3.34 7.99 -8.49 0 2 0 18 222.719 2
Lo Low (pH 4.5-6) 3.34 8.43 -25.92 1 2 1 19 223.727 2

Activity (Go SEA)

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