UCSF

ZINC49571892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.20 -1.64 -97.4 0 6 -2 93 316.335 4
Mid Mid (pH 6-8) 1.74 0.48 -38.87 1 6 -1 90 317.343 4
Lo Low (pH 4.5-6) 1.74 0.46 -10.87 2 6 0 88 318.351 4

Activity (Go SEA)

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

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