UCSF

ZINC37094770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 Yes

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) 0.36 2.02 -46.14 3 4 1 49 211.333 6
Lo Low (pH 4.5-6) 0.36 3.82 -122.51 4 4 2 50 212.341 6

Activity (Go SEA)

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