UCSF

ZINC45684531

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.63 3.56 -42.99 3 6 1 77 316.447 8
Hi High (pH 8-9.5) 1.63 1.1 -9.06 2 6 0 76 315.439 8

Activity (Go SEA)

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