UCSF

ZINC06624422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 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) 2.74 0.43 -61.26 1 7 -1 90 425.505 7

Activity (Go SEA)

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