UCSF

ZINC16599763

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 34 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) 4.41 9.47 -59.95 3 7 1 89 482.626 10
Hi High (pH 8-9.5) 4.41 9.56 -86.15 2 7 0 91 481.618 10

Activity (Go SEA)

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