UCSF

ZINC22623220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 24 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) 3.63 10.47 -43.22 2 3 1 34 367.604 7
Hi High (pH 8-9.5) 3.63 8.41 -11.84 1 3 0 32 366.596 7

Activity (Go SEA)

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