UCSF

ZINC25406389

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 23 No

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) 1.44 5.32 -19.61 2 6 0 79 357.501 5
Hi High (pH 8-9.5) 1.62 3.53 -50.2 1 6 -1 85 356.493 5

Activity (Go SEA)

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