UCSF

ZINC44726392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 2.29 8.29 -9.5 1 4 0 43 263.366 5
Mid Mid (pH 6-8) 3.01 7.92 -44.5 0 4 -1 40 262.358 5

Activity (Go SEA)

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