UCSF

ZINC27412859

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 27 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) 2.95 7.08 -53.76 2 6 1 71 396.577 6
Hi High (pH 8-9.5) 2.95 4.95 -17.54 1 6 0 70 395.569 6

Activity (Go SEA)

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