UCSF

ZINC16666717

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 24 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) 4.86 9.54 -10.26 1 4 0 50 333.416 2
Ref Reference (pH 7) 4.37 9.42 -46.11 0 4 -1 49 332.408 3

Activity (Go SEA)

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