UCSF

ZINC33586717

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 38 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) 4.22 14.98 -52.07 2 7 1 80 522.641 10
Hi High (pH 8-9.5) 4.22 12.7 -16.13 1 7 0 79 521.633 10

Activity (Go SEA)

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