UCSF

ZINC21810733

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.56 6.4 -60.51 4 3 1 57 324.231 4
Hi High (pH 8-9.5) 3.56 6.01 -10.94 3 3 0 55 323.223 4

Activity (Go SEA)

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