UCSF

ZINC12017350

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 29 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) 3.05 9.46 -9.13 0 7 0 68 396.443 5
Ref Reference (pH 7) 3.05 7.88 -7.9 0 7 0 68 396.443 5

Activity (Go SEA)

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