UCSF

ZINC18210322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 5.18 9.99 -17.15 1 7 0 87 478.599 5
Ref Reference (pH 7) 4.25 9.83 -18.06 1 7 0 84 478.599 6

Activity (Go SEA)

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