UCSF

ZINC37665553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 37 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) 8.32 19.65 -26.43 2 5 1 57 498.691 10
Mid Mid (pH 6-8) 8.32 19.16 -15.6 1 5 0 56 497.683 10
Mid Mid (pH 6-8) 8.32 19.46 -35.51 2 5 1 60 498.691 10
Lo Low (pH 4.5-6) 8.32 19.74 -87.5 3 5 2 61 499.699 10

Activity (Go SEA)

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