UCSF

ZINC03194605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 31 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) 6.68 16.74 -29.4 1 3 0 25 417.617 8
Hi High (pH 8-9.5) 6.68 16.63 -9.07 0 3 0 24 416.609 8
Mid Mid (pH 6-8) 6.68 16.71 -36.88 1 3 0 25 417.617 8
Mid Mid (pH 6-8) 6.68 16.84 -102.56 2 3 0 26 418.625 8

Activity (Go SEA)

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