UCSF

ZINC43396795

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.19 2.93 -10.69 3 4 0 62 253.371 6
Mid Mid (pH 6-8) 1.19 3.39 -32.42 4 4 1 64 254.379 6

Activity (Go SEA)

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