UCSF

ZINC44840321

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 1.90 5.31 -8.95 3 4 0 68 287.388 5
Lo Low (pH 4.5-6) 1.90 5.78 -40.04 4 4 1 69 288.396 5

Activity (Go SEA)

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