UCSF

ZINC44726104

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 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) 4.04 6.39 -29.74 2 3 1 35 265.764 5
Hi High (pH 8-9.5) 4.04 5.97 -6.19 1 3 0 34 264.756 5

Activity (Go SEA)

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