UCSF

ZINC37085517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.62 6.63 -40.71 3 4 1 63 288.367 5
Hi High (pH 8-9.5) 3.62 5.44 -7.35 2 4 0 59 287.359 5

Activity (Go SEA)

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