UCSF

ZINC51995993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 24 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) 2.65 5.81 -7.4 0 7 0 77 334.372 3
Lo Low (pH 4.5-6) 2.65 8.03 -42.48 1 7 1 78 335.38 3

Activity (Go SEA)

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