UCSF

ZINC62820634

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 13 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) -0.04 0.41 -30.12 3 4 1 59 183.231 2
Mid Mid (pH 6-8) -0.04 -0.04 -8.9 2 4 0 58 182.223 2
Mid Mid (pH 6-8) -0.04 0 -7.22 2 4 0 58 182.223 2

Activity (Go SEA)

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

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