UCSF

ZINC71523410

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 16 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) 1.07 3.63 -37.9 3 4 1 43 222.312 3
Mid Mid (pH 6-8) 1.07 1.2 -42.12 3 4 1 43 222.312 3
Mid Mid (pH 6-8) 1.07 1.38 -4.71 2 4 0 42 221.304 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.