UCSF

ZINC37795439

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.55 7.75 -48.18 1 4 -1 69 260.313 4
Lo Low (pH 4.5-6) 2.55 5.74 -9.17 2 4 0 66 261.321 4

Activity (Go SEA)

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