UCSF

ZINC44420258

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 16 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) 1.45 6.55 -32.96 3 3 1 43 238.38 6
Mid Mid (pH 6-8) 1.45 6.58 -9.38 2 3 0 42 237.372 6

Activity (Go SEA)

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