UCSF

ZINC22358764

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 28 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) 3.59 5.29 -22.97 2 7 0 105 421.544 6
Hi High (pH 8-9.5) 3.59 5.36 -48.61 1 7 -1 107 420.536 6

Activity (Go SEA)

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