UCSF

ZINC43286144

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 20 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) 3.94 6.1 -43.5 3 2 1 31 358.369 3
Mid Mid (pH 6-8) 3.94 7.74 -28.93 3 2 1 30 358.369 3
Mid Mid (pH 6-8) 3.94 8.04 -111.92 4 2 2 32 359.377 3

Activity (Go SEA)

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