UCSF

ZINC13278736

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.88 4.3 -107.53 1 9 -2 147 490.346 6
Hi High (pH 8-9.5) 2.23 3.69 -93.84 2 9 -1 149 491.354 7
Mid Mid (pH 6-8) 2.88 4.26 -59.6 2 9 -1 145 491.354 6

Activity (Go SEA)

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

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