UCSF

ZINC06189992

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 28 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) 4.71 11.8 -9.42 1 4 0 54 405.445 5
Lo Low (pH 4.5-6) 4.71 11.91 -34.42 2 4 1 55 406.453 6

Activity (Go SEA)

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