UCSF

ZINC15937418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 23 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) 3.31 8.95 -6.04 1 5 0 54 313.401 6
Mid Mid (pH 6-8) 3.31 9.95 -31.89 2 5 1 56 314.409 6

Activity (Go SEA)

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