UCSF

ZINC08792362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 3.68 -2.48 -19.37 1 7 0 81 441.487 5
Lo Low (pH 4.5-6) 3.68 -2.31 -50.65 2 7 1 83 442.495 5

Activity (Go SEA)

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