UCSF

ZINC61700393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 20 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) 0.55 6.66 -60.28 4 5 1 82 306.802 3
Hi High (pH 8-9.5) 0.55 5.84 -40.14 2 5 -1 79 304.786 3
Mid Mid (pH 6-8) 0.55 6.18 -77.97 3 5 0 80 305.794 3

Activity (Go SEA)

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

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