UCSF

ZINC25460972

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 2.03 5.06 -20.88 1 8 0 104 465.597 5
Hi High (pH 8-9.5) 2.03 5.13 -49.52 0 8 -1 106 464.589 5

Activity (Go SEA)

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