UCSF

ZINC35302048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 0.49 7.99 -64.07 2 5 0 74 272.389 8
Hi High (pH 8-9.5) 0.49 5.65 -51.86 1 5 -1 72 271.381 8

Activity (Go SEA)

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