UCSF

ZINC34947097

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) -1.17 -8.15 -54.67 6 7 0 129 206.198 2
Mid Mid (pH 6-8) -1.17 -9.53 -54.23 5 7 -1 125 205.19 2

Activity (Go SEA)

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