UCSF

ZINC08856438

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 3.43 10.92 -50.88 0 10 -1 145 444.379 5
Lo Low (pH 4.5-6) 3.43 10.17 -14.31 1 10 0 143 445.387 5

Activity (Go SEA)

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