UCSF

ZINC04690392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 18 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) 2.23 1.76 -50.99 0 4 -1 60 254.35 4

Activity (Go SEA)

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