UCSF

ZINC31994580

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) 1.36 3.99 -97.52 4 3 2 41 234.343 2
Hi High (pH 8-9.5) 1.36 2.56 -39.75 3 3 1 37 233.335 2

Activity (Go SEA)

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