UCSF

ZINC36357213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 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) 3.13 5.69 -12.99 1 7 0 76 417.531 6
Ref Reference (pH 7) 2.95 8.19 -11.87 1 7 0 73 417.531 6

Activity (Go SEA)

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