UCSF

ZINC44903973

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 34 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) 3.66 6.9 -54.32 1 8 -1 115 498.606 7
Hi High (pH 8-9.5) 3.66 6.96 -114.64 0 8 -2 117 497.598 7
Mid Mid (pH 6-8) 3.66 6.89 -20.71 2 8 0 113 499.614 7
Mid Mid (pH 6-8) 3.66 6.92 -53.07 1 8 -1 115 498.606 7

Activity (Go SEA)

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