UCSF

ZINC19844589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 1.91 7.23 -74.22 1 7 0 94 265.269 3
Mid Mid (pH 6-8) 1.91 4.76 -51.62 0 7 -1 92 264.261 3

Activity (Go SEA)

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