UCSF

ZINC31978370

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 1.82 5.5 -59.16 1 5 -1 90 278.671 2
Hi High (pH 8-9.5) 2.73 4.53 -109.69 0 5 -2 93 277.663 2

Activity (Go SEA)

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