UCSF

ZINC08792543

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 34 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) 4.97 12.38 -18.16 1 6 0 73 451.526 6
Lo Low (pH 4.5-6) 4.97 12.66 -50.52 2 6 1 74 452.534 6

Activity (Go SEA)

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