UCSF

ZINC40267678

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 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) 2.99 9.48 -13.08 1 9 0 103 417.473 5
Ref Reference (pH 7) 2.81 12.13 -12.38 1 9 0 99 417.473 5

Activity (Go SEA)

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