UCSF

ZINC08845520

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 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) 4.20 5.85 -11.26 3 6 0 89 432.307 4
Ref Reference (pH 7) 4.20 5.82 -10.13 3 6 0 89 432.307 4
Hi High (pH 8-9.5) 4.20 6.55 -37.43 2 6 -1 92 431.299 4
Hi High (pH 8-9.5) 3.97 6.21 -44.19 1 6 -1 88 431.299 4
Hi High (pH 8-9.5) 3.97 5.77 -55.16 1 6 -1 88 431.299 4

Activity (Go SEA)

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