UCSF

ZINC13282813

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 36 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) 4.57 12.34 -71.66 1 7 0 83 486.568 9
Hi High (pH 8-9.5) 4.57 9.8 -59.26 0 7 -1 82 485.56 9

Activity (Go SEA)

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