UCSF

ZINC43457215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 1.19 4.71 -104.14 4 4 2 45 279.428 6
Mid Mid (pH 6-8) 1.19 5.01 -86.7 4 4 2 45 279.428 6
Mid Mid (pH 6-8) 1.19 2.73 -44.52 3 4 1 43 278.42 6

Activity (Go SEA)

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