UCSF

ZINC36890379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 14 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) 3.21 7.54 -7.83 0 2 0 18 229.11 2
Lo Low (pH 4.5-6) 3.21 7.98 -28.82 1 2 1 19 230.118 2

Activity (Go SEA)

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