UCSF

ZINC13942158

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 26 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) 3.23 5.29 -11.66 0 6 0 56 351.406 4
Lo Low (pH 4.5-6) 3.23 7.6 -43.26 1 6 1 57 352.414 4

Activity (Go SEA)

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