UCSF

ZINC37796257

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) -1.08 2.05 -69.59 4 7 0 117 269.301 5
Lo Low (pH 4.5-6) -1.08 0.1 -51.72 5 7 1 114 270.309 5

Activity (Go SEA)

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