UCSF

ZINC39990620

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 27 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) -0.54 5.89 -59.1 1 8 1 82 397.521 7
Hi High (pH 8-9.5) -0.54 3.65 -26.26 0 8 0 81 396.513 7

Activity (Go SEA)

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