UCSF

ZINC33348011

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2009 32 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) 6.60 12.71 -12.47 1 5 0 64 444.556 5
Ref Reference (pH 7) 6.60 11.36 -12.35 1 5 0 64 444.556 5
Lo Low (pH 4.5-6) 6.60 11.84 -32.48 2 5 1 65 445.564 5
Lo Low (pH 4.5-6) 6.60 13.04 -30.67 2 5 1 65 445.564 5

Activity (Go SEA)

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