UCSF

ZINC51151155

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 17 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) 2.36 4.44 -4.34 0 3 0 22 235.327 4
Lo Low (pH 4.5-6) 2.36 6.69 -38.85 1 3 1 23 236.335 4

Activity (Go SEA)

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