UCSF

ZINC28642303

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 27 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) 5.16 9.22 -8.68 2 4 0 54 363.505 4
Lo Low (pH 4.5-6) 5.16 9.64 -34.05 3 4 1 55 364.513 4

Activity (Go SEA)

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