UCSF

ZINC25461998

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 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) 1.64 4.31 -35.15 2 10 0 109 467.526 8
Mid Mid (pH 6-8) 2.09 4.14 -56.3 2 10 0 113 467.526 8
Mid Mid (pH 6-8) 1.64 6.79 -64.4 3 10 1 110 468.534 8

Activity (Go SEA)

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