UCSF

ZINC24986109

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 29 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) 1.22 4.85 -42.82 4 8 1 101 398.487 4
Hi High (pH 8-9.5) 1.22 4.38 -14.24 3 8 0 99 397.479 4
Mid Mid (pH 6-8) 1.22 5.51 -55.28 4 8 1 104 398.487 4

Activity (Go SEA)

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