UCSF

ZINC04947461

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 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) 3.13 0.71 -17.9 1 7 0 78 402.451 8

Activity (Go SEA)

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