UCSF

ZINC63196467

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 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) 0.83 3.16 -104.19 6 5 2 88 278.4 3
Mid Mid (pH 6-8) 0.83 2.8 -40.5 5 5 1 87 277.392 3

Activity (Go SEA)

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