UCSF

ZINC21704428

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 2.46 6.99 -57.38 1 9 0 104 467.551 7
Hi High (pH 8-9.5) 2.46 4.69 -54.8 0 9 -1 103 466.543 7
Hi High (pH 8-9.5) 2.64 5.77 -30.09 1 9 0 97 467.551 7
Mid Mid (pH 6-8) 2.64 8.08 -74.52 2 9 1 98 468.559 7

Activity (Go SEA)

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