UCSF

ZINC42912757

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 Yes

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) 2.69 5.08 -42.37 3 3 1 40 277.432 4
Lo Low (pH 4.5-6) 2.69 7.69 -121.42 4 3 2 41 278.44 4

Activity (Go SEA)

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