UCSF

ZINC37998646

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) 1.86 4.99 -6.7 1 2 0 36 257.106 4
Lo Low (pH 4.5-6) 1.86 6.37 -52.22 2 2 1 40 258.114 4

Activity (Go SEA)

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