UCSF

ZINC40288377

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 25 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) 2.97 8.61 -18.39 1 6 0 81 391.547 5
Hi High (pH 8-9.5) 3.15 7.39 -48.74 0 6 -1 87 390.539 5

Activity (Go SEA)

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