UCSF

ZINC45694123

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 0.65 -0.01 -6.48 3 5 0 71 215.297 3
Mid Mid (pH 6-8) 0.65 1.94 -40.24 4 5 1 72 216.305 3

Activity (Go SEA)

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