UCSF

ZINC12017246

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 33 No

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) 4.58 13.06 -13.78 0 7 0 76 442.471 6
Ref Reference (pH 7) 4.58 12.82 -9.15 0 7 0 76 442.471 6

Activity (Go SEA)

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