UCSF

ZINC11790680

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 26 Yes

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) 4.89 0.38 -58.36 2 3 1 39 351.445 5
Lo Low (pH 4.5-6) 4.89 0.46 -111.51 3 3 2 40 352.453 5

Activity (Go SEA)

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