UCSF

ZINC37777597

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.83 4.84 -8.17 1 4 0 43 258.321 7
Lo Low (pH 4.5-6) 1.83 5.3 -38.58 2 4 1 45 259.329 7

Activity (Go SEA)

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