UCSF

ZINC62951810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

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) 3.23 5.8 -43.82 3 2 1 31 281.489 5
Hi High (pH 8-9.5) 3.23 5.32 -1.33 2 2 0 29 280.481 5
Mid Mid (pH 6-8) 3.23 7.16 -28.46 3 2 1 30 281.489 5
Mid Mid (pH 6-8) 3.23 7.73 -117.27 4 2 2 32 282.497 5

Activity (Go SEA)

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