UCSF

ZINC45694595

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.99 7.04 -188.47 6 4 3 60 265.425 8
Hi High (pH 8-9.5) 0.99 2.69 -30.46 4 4 1 58 263.409 8
Hi High (pH 8-9.5) 0.99 4.58 -96.87 5 4 2 59 264.417 8
Mid Mid (pH 6-8) 0.99 5.15 -81.5 5 4 2 59 264.417 8

Activity (Go SEA)

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