UCSF

ZINC19719832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.15 4.46 -52.22 2 8 1 91 370.499 4
Hi High (pH 8-9.5) 0.15 2.24 -16.26 1 8 0 90 369.491 4

Activity (Go SEA)

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