UCSF

ZINC31917438

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) -1.35 0.83 -62.21 4 7 1 96 308.358 5
Hi High (pH 8-9.5) -1.35 0.5 -17.55 3 7 0 94 307.35 5

Activity (Go SEA)

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