UCSF

ZINC19437667

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 0.77 4.02 -40.14 4 5 1 75 292.384 4
Mid Mid (pH 6-8) 0.77 2.87 -13.44 3 5 0 70 291.376 4

Activity (Go SEA)

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