UCSF

ZINC38206537

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 31 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) 6.77 13.3 -11.4 0 5 0 53 428.513 3
Ref Reference (pH 7) 6.77 11.97 -11.39 0 5 0 53 428.513 3
Lo Low (pH 4.5-6) 6.77 13.62 -30.53 1 5 1 54 429.521 3
Lo Low (pH 4.5-6) 6.77 12.47 -32.32 1 5 1 54 429.521 3

Activity (Go SEA)

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