UCSF

ZINC01279394

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 32 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) 3.68 0.39 -14.68 1 7 0 92 448.862 3
Lo Low (pH 4.5-6) 3.68 0.51 -33.68 2 7 1 94 449.87 3

Activity (Go SEA)

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