UCSF

ZINC37055879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.39 4.64 -33.33 2 5 -1 98 430.101 3
Mid Mid (pH 6-8) 3.39 4.16 -10.82 3 5 0 96 431.109 3

Activity (Go SEA)

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