UCSF

ZINC31886190

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) 2.27 8.27 -47.43 2 4 1 38 299.442 4
Hi High (pH 8-9.5) 2.27 6.86 -6.72 1 4 0 33 298.434 4

Activity (Go SEA)

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