UCSF

ZINC37796315

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) 2.23 6.26 -51.1 1 4 -1 69 278.25 4
Lo Low (pH 4.5-6) 2.23 4.29 -13.47 2 4 0 66 279.258 4

Activity (Go SEA)

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