UCSF

ZINC40283797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 33 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) 2.80 9.65 -14.99 1 10 0 112 447.499 6
Ref Reference (pH 7) 2.62 12.3 -14.3 1 10 0 108 447.499 6

Activity (Go SEA)

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