UCSF

ZINC18251319

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 20 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) 4.23 6.2 -8.96 1 4 0 51 291.734 5
Ref Reference (pH 7) 4.23 6.05 -7.74 1 4 0 51 291.734 5
Ref Reference (pH 7) 3.41 6.26 -6.82 0 4 0 48 291.734 6

Activity (Go SEA)

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