UCSF

ZINC33858600

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 37 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) 2.50 14.27 -47.14 1 9 -1 135 500.531 8
Lo Low (pH 4.5-6) 2.50 14.31 -45.16 2 9 0 140 501.539 8

Activity (Go SEA)

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