UCSF

ZINC03878750

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 25 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) 5.30 0.91 -12.43 0 3 0 33 338.495 3
Lo Low (pH 4.5-6) 1.82 0.55 -25.05 1 3 1 35 339.503 2

Activity (Go SEA)

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