UCSF

ZINC13644813

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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) 4.97 7.87 -7.39 1 3 0 45 316.332 2
Ref Reference (pH 7) 4.97 8.29 -7.66 1 3 0 45 316.332 2
Ref Reference (pH 7) 4.48 7.77 -37.06 0 3 -1 44 315.324 3

Activity (Go SEA)

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