UCSF

ZINC37574774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 19 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) 4.90 6.28 -38.52 0 3 -1 48 424.521 3
Lo Low (pH 4.5-6) 4.90 6.25 -7.26 1 3 0 46 425.529 3

Activity (Go SEA)

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