UCSF

ZINC01353397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 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) 2.66 7.55 -19.72 2 5 0 71 313.332 4
Lo Low (pH 4.5-6) 2.66 7.33 -30.89 3 5 1 72 314.34 4

Activity (Go SEA)

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