UCSF

ZINC05331445

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 21 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) 3.93 6.35 -14.3 4 4 0 78 312.423 2
Lo Low (pH 4.5-6) 3.93 6.57 -35.31 5 4 1 79 313.431 2

Activity (Go SEA)

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