UCSF

ZINC42163814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) 0.47 5.41 -47.7 2 6 0 87 269.326 5
Mid Mid (pH 6-8) 0.29 4.62 -58.16 1 6 -1 93 268.318 5

Activity (Go SEA)

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