UCSF

ZINC53432590

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 23 Yes

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) 1.44 8.37 -38.06 1 5 1 52 315.441 6
Mid Mid (pH 6-8) 1.44 6.25 -12.33 0 5 0 51 314.433 6

Activity (Go SEA)

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