UCSF

ZINC53517294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 21 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) 2.50 8.75 -62.03 2 6 -1 101 286.311 2
Lo Low (pH 4.5-6) 2.50 6.73 -12.85 3 6 0 98 287.319 2

Activity (Go SEA)

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