UCSF

ZINC08792124

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 36 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) 4.12 -3.18 -20.55 2 7 0 92 477.52 6
Lo Low (pH 4.5-6) 4.12 -3.01 -52.12 3 7 1 94 478.528 6

Activity (Go SEA)

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