UCSF

ZINC31994558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 2.29 7.52 -96.06 3 2 2 21 232.371 2
Hi High (pH 8-9.5) 2.29 6.09 -38 2 2 1 16 231.363 2

Activity (Go SEA)

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