UCSF

ZINC42763854

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 4.11 7.75 -6.5 0 4 0 49 310.703 7
Lo Low (pH 4.5-6) 4.11 9.74 -42.72 1 4 1 50 311.711 7

Activity (Go SEA)

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