UCSF

ZINC33817759

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 26 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) 2.63 9.46 -41.97 1 6 1 65 351.43 5
Hi High (pH 8-9.5) 2.63 6.91 -8.61 0 6 0 64 350.422 5

Activity (Go SEA)

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