UCSF

ZINC35216004

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 19 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) 1.76 1.77 -8.37 0 5 0 54 303.815 3
Mid Mid (pH 6-8) 1.76 4.14 -44.18 1 5 1 55 304.823 3

Activity (Go SEA)

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