UCSF

ZINC43476717

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 4.57 6.84 -4.52 2 2 0 32 275.779 4
Hi High (pH 8-9.5) 4.57 7.61 -39.49 1 2 -1 35 274.771 4

Activity (Go SEA)

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