UCSF

ZINC44724213

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 10 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) 0.57 1.45 -6.97 1 3 0 45 142.202 5
Lo Low (pH 4.5-6) 0.57 2.7 -46.45 2 3 1 50 143.21 5

Activity (Go SEA)

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