UCSF

ZINC33657988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 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) 5.25 12.34 -31.03 1 6 0 75 469.01 7
Hi High (pH 8-9.5) 5.44 11.26 -49.66 0 6 -1 82 468.002 7

Activity (Go SEA)

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