UCSF

ZINC37085592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.28 5.79 -35.78 3 4 1 63 278.372 4
Hi High (pH 8-9.5) 3.28 4.85 -7.5 2 4 0 59 277.364 4

Activity (Go SEA)

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