UCSF

ZINC31003086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 27 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) 4.44 10.34 -43.8 2 5 1 52 434.354 7
Hi High (pH 8-9.5) 4.44 8.04 -13.74 1 5 0 51 433.346 7

Activity (Go SEA)

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