UCSF

ZINC44510776

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 No

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) 1.21 3.74 -15.17 3 5 0 73 280.397 5
Lo Low (pH 4.5-6) 1.21 3.86 -33.8 4 5 1 74 281.405 5

Activity (Go SEA)

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