UCSF

ZINC44833511

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 15 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) -0.51 4.35 -48.49 3 4 1 51 230.357 2
Hi High (pH 8-9.5) -0.51 2.2 -15.48 2 4 0 50 229.349 2

Activity (Go SEA)

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