UCSF

ZINC17252138

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 30 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) 4.65 8.24 -16.43 1 7 0 87 462.984 5
Ref Reference (pH 7) 3.72 8.05 -17.28 1 7 0 84 462.984 6

Activity (Go SEA)

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