UCSF

ZINC19731002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 27 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) 3.97 7.57 -39.95 1 6 1 56 371.505 5
Lo Low (pH 4.5-6) 3.97 9.68 -124.33 2 6 2 57 372.513 5

Activity (Go SEA)

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