UCSF

ZINC43425542

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.19 2.64 -7.88 3 6 0 84 262.313 2
Lo Low (pH 4.5-6) 0.19 2.92 -34.38 4 6 1 85 263.321 2

Activity (Go SEA)

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