UCSF

ZINC03955504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 29 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) 1.46 -3.29 -15.45 1 8 0 87 390.399 1
Lo Low (pH 4.5-6) 1.46 -3.15 -42.58 2 8 1 89 391.407 1

Activity (Go SEA)

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