UCSF

ZINC44684700

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.91 3.56 -45.1 3 4 1 49 277.388 5
Lo Low (pH 4.5-6) 1.91 5.99 -113.76 4 4 2 51 278.396 5
Lo Low (pH 4.5-6) 1.91 4.97 -37.5 3 4 1 46 277.388 5

Activity (Go SEA)

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