UCSF

ZINC27635661

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 28 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) 2.05 8.07 -34.49 3 9 1 108 386.432 7
Hi High (pH 8-9.5) 2.05 7.81 -18.7 2 9 0 107 385.424 7

Activity (Go SEA)

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