UCSF

ZINC06797784

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 26 No

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) 1.80 6.85 -23.06 1 5 0 72 368.458 7
Lo Low (pH 4.5-6) 1.80 7.32 -48.15 2 5 1 73 369.466 7

Activity (Go SEA)

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