UCSF

ZINC37004952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.43 3.91 -45.46 3 6 1 76 268.366 3
Mid Mid (pH 6-8) -0.43 2.54 -11.94 2 6 0 72 267.358 3

Activity (Go SEA)

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