UCSF

ZINC37014578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 2.65 5.05 -45.14 4 3 1 57 314.247 5
Mid Mid (pH 6-8) 2.65 4.73 -8.85 3 3 0 55 313.239 5

Activity (Go SEA)

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