UCSF

ZINC31959479

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 0.51 2.49 -61.58 4 7 1 99 333.393 3
Hi High (pH 8-9.5) 1.07 1.41 -16.88 3 7 0 101 332.385 2
Mid Mid (pH 6-8) 0.32 1.42 -47.99 3 7 0 105 332.385 3

Activity (Go SEA)

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