UCSF

ZINC16954284

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 12 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) -1.04 -9.01 -34.9 5 6 1 99 175.164 1
Hi High (pH 8-9.5) -0.91 -9.88 -11.45 4 6 0 95 174.156 1

Activity (Go SEA)

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