UCSF

ZINC04759831

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 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) 1.36 -3.53 -11.89 3 8 0 120 353.429 7
Lo Low (pH 4.5-6) 1.36 -3.35 -45.74 4 8 1 121 354.437 7

Activity (Go SEA)

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