UCSF

ZINC44248638

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) -0.17 0.93 -53.37 5 5 1 92 202.241 2
Mid Mid (pH 6-8) -0.17 0.51 -8.31 4 5 0 91 201.233 2

Activity (Go SEA)

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