UCSF

ZINC27269750

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 25 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) 3.34 7.36 -50.86 2 6 1 71 370.539 11
Hi High (pH 8-9.5) 3.34 5.12 -16.29 1 6 0 70 369.531 11

Activity (Go SEA)

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