UCSF

ZINC57286172

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 28 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) 3.25 10.15 -11.03 3 7 0 89 382.443 8
Lo Low (pH 4.5-6) 3.25 10.77 -36.72 4 7 1 90 383.451 8

Activity (Go SEA)

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