UCSF

ZINC00701140

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 4.56 11.98 -14.98 0 5 0 46 491.579 11
Mid Mid (pH 6-8) 4.56 14.11 -62.5 1 5 1 47 492.587 11

Activity (Go SEA)

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