UCSF

ZINC49872071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 32 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) 7.25 7.46 -103.99 0 6 -2 96 593.124 6
Mid Mid (pH 6-8) 7.25 7.43 -38.94 1 6 -1 94 594.132 6

Activity (Go SEA)

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