UCSF

ZINC43436435

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 3.78 7.16 -44.45 0 4 -1 44 289.428 4
Mid Mid (pH 6-8) 3.06 6.67 -8.15 1 4 0 47 290.436 4

Activity (Go SEA)

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