UCSF

ZINC21779780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 5.12 11.15 -13.34 2 5 0 61 416.912 2
Lo Low (pH 4.5-6) 5.12 11.58 -44.94 3 5 1 62 417.92 2

Activity (Go SEA)

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