UCSF

ZINC13769333

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 25 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) 5.02 9.94 -41.82 0 4 -1 49 366.853 3
Ref Reference (pH 7) 5.51 10.46 -9.19 1 4 0 50 367.861 2
Ref Reference (pH 7) 5.51 10.05 -10.22 1 4 0 50 367.861 2

Activity (Go SEA)

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