UCSF

ZINC25249125

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 23 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) 2.25 8.92 -15.99 1 6 0 73 321.365 3
Hi High (pH 8-9.5) 2.31 8.01 -42.74 0 6 -1 79 320.357 3
Mid Mid (pH 6-8) 2.25 9.39 -48.21 2 6 1 74 322.373 3

Activity (Go SEA)

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