UCSF

ZINC37811694

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) -2.35 -2.55 -40.13 5 8 1 121 275.329 8
Hi High (pH 8-9.5) -2.35 -2.88 -16.07 4 8 0 119 274.321 8

Activity (Go SEA)

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