UCSF

ZINC37000733

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 1.35 7.3 -16.37 1 4 0 47 249.701 4
Mid Mid (pH 6-8) 1.35 7.82 -44.83 2 4 1 48 250.709 4

Activity (Go SEA)

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