UCSF

ZINC37269762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 1.21 2.01 -52.52 5 6 1 89 285.755 5
Hi High (pH 8-9.5) 1.21 -0.21 -18.85 4 6 0 87 284.747 5

Activity (Go SEA)

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