UCSF

ZINC17053186

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 30 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) 4.97 7 -21.23 1 6 0 84 462.618 5
Hi High (pH 8-9.5) 4.97 7.07 -63.33 0 6 -1 86 461.61 5

Activity (Go SEA)

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