UCSF

ZINC40405557

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 21 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) 4.74 10.86 -48.21 1 3 1 22 308.877 6
Hi High (pH 8-9.5) 4.74 8.72 -6.28 0 3 0 21 307.869 6
Lo Low (pH 4.5-6) 4.74 11.27 -91.87 2 3 2 24 309.885 6

Activity (Go SEA)

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