UCSF

ZINC42678495

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 20 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) 2.62 5.88 -11.94 0 4 0 50 331.224 4
Lo Low (pH 4.5-6) 2.62 6.34 -38.09 1 4 1 52 332.232 4

Activity (Go SEA)

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