UCSF

ZINC20728981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 30 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) 2.54 8.83 -18.01 1 8 0 95 407.474 6
Ref Reference (pH 7) 2.35 11.58 -15.65 1 8 0 91 407.474 6

Activity (Go SEA)

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