UCSF

ZINC19633001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 20 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) 4.12 9.9 -33.88 1 2 1 8 279.492 8
Hi High (pH 8-9.5) 4.12 7.67 -0.61 0 2 0 6 278.484 8
Mid Mid (pH 6-8) 4.12 9.91 -32.53 1 2 1 8 279.492 8
Mid Mid (pH 6-8) 4.12 11.97 -108.1 2 2 2 9 280.5 8

Activity (Go SEA)

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