UCSF

ZINC60033553

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 21 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) 4.60 9.78 -36.26 1 3 1 23 296.475 3
Hi High (pH 8-9.5) 4.60 7.47 -2.55 0 3 0 22 295.467 3

Activity (Go SEA)

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