UCSF

ZINC19171631

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 12 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) -1.84 -0.71 -46.93 7 4 1 78 167.236 4
Mid Mid (pH 6-8) -1.84 0.05 -42.15 7 4 1 81 167.236 4
Mid Mid (pH 6-8) -1.84 -0.16 -91.26 8 4 2 82 168.244 4
Mid Mid (pH 6-8) -1.84 -0.51 -4.01 6 4 0 76 166.228 4
Mid Mid (pH 6-8) -1.84 -0.93 -95.05 8 4 2 79 168.244 4
Mid Mid (pH 6-8) -1.84 0.59 -89.31 8 4 2 85 168.244 4

Activity (Go SEA)

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

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