UCSF

ZINC19743731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 26 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) 1.75 9.42 -58.67 2 5 1 55 347.442 3
Mid Mid (pH 6-8) 1.75 8.05 -13.15 1 5 0 50 346.434 3

Activity (Go SEA)

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