UCSF

ZINC37795338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.67 5.97 -46.37 2 6 -1 98 284.295 3
Lo Low (pH 4.5-6) 1.67 3.92 -10.2 3 6 0 95 285.303 3

Activity (Go SEA)

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