UCSF

ZINC12217763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 32 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) 1.55 -2.16 -68.73 2 9 1 92 442.54 7

Activity (Go SEA)

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