UCSF

ZINC11817472

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 29 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) 2.28 8.33 -11.79 1 6 0 59 400.498 5
Lo Low (pH 4.5-6) 2.28 9.65 -40.9 2 6 1 61 401.506 5

Activity (Go SEA)

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