UCSF

ZINC66252090

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 24 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) -0.05 -3.98 -19.23 7 7 0 136 332.356 6
Mid Mid (pH 6-8) -0.05 -3.65 -58.3 8 7 1 138 333.364 6

Activity (Go SEA)

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