UCSF

ZINC27310402

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 27 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) 5.56 12.85 -91.53 3 3 2 31 357.501 5
Hi High (pH 8-9.5) 5.56 10.32 -27.53 2 3 1 29 356.493 5
Hi High (pH 8-9.5) 5.56 12.55 -53.76 2 3 1 29 356.493 5

Activity (Go SEA)

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