UCSF

ZINC36768975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.24 2.15 -6.49 2 5 0 57 278.352 3
Mid Mid (pH 6-8) 1.24 4.46 -33.65 3 5 1 58 279.36 3

Activity (Go SEA)

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