UCSF

ZINC17993401

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 16 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) -1.32 -0.64 -32.55 3 7 -1 120 220.212 2
Hi High (pH 8-9.5) -0.06 -0.36 -34.36 4 7 0 121 221.22 2
Hi High (pH 8-9.5) -1.32 -1.1 -95.53 2 7 -2 119 219.204 2
Mid Mid (pH 6-8) -0.69 0.96 -15.3 4 7 0 113 221.22 2
Lo Low (pH 4.5-6) -0.69 0.35 -24.41 4 7 0 113 221.22 2

Activity (Go SEA)

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

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