UCSF

ZINC37808612

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.81 1.15 -39.89 5 6 1 104 280.348 6
Hi High (pH 8-9.5) 0.81 0.79 -11.87 4 6 0 103 279.34 6

Activity (Go SEA)

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