UCSF

ZINC37803771

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.13 4.49 -50.97 3 6 1 83 293.372 5
Hi High (pH 8-9.5) 0.58 1.72 -64.87 2 6 0 86 292.364 5
Hi High (pH 8-9.5) 0.58 0.44 -52.84 1 6 -1 81 291.356 5

Activity (Go SEA)

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