UCSF

ZINC51693750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 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) 0.23 3 -83.86 5 4 2 67 208.309 2
Lo Low (pH 4.5-6) 0.23 3.06 -88.68 5 4 2 67 208.309 2

Activity (Go SEA)

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