UCSF

ZINC22763255

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 16 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) -1.06 0.85 -46.59 0 5 -1 56 227.284 4
Lo Low (pH 4.5-6) -1.06 5.32 -85.28 2 5 1 58 229.3 4

Activity (Go SEA)

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