UCSF

ZINC04453215

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 18 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) 0.54 2.22 -8.54 2 5 0 76 247.25 3
Mid Mid (pH 6-8) -0.04 2.95 -9.58 1 5 0 72 247.25 3

Activity (Go SEA)

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