UCSF

ZINC28250201

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) -0.52 6.7 -105.56 0 6 -2 102 277.207 3
Mid Mid (pH 6-8) -0.52 5.61 -70.14 1 6 -1 105 278.215 3

Activity (Go SEA)

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