UCSF

ZINC33730762

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 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) 7.03 14.37 -12.75 2 5 0 59 511.478 8
Lo Low (pH 4.5-6) 7.03 14.8 -38.4 3 5 1 60 512.486 8

Activity (Go SEA)

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