UCSF

ZINC44136117

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 0.76 9.53 -17.85 0 3 0 30 290.794 5
Lo Low (pH 4.5-6) 0.76 9.98 -48.42 1 3 1 31 291.802 5

Activity (Go SEA)

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