UCSF

ZINC25563067

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 24 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) 1.67 4.44 -19.76 2 6 0 88 361.448 6
Hi High (pH 8-9.5) 1.74 3.53 -50.33 1 6 -1 94 360.44 6

Activity (Go SEA)

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