UCSF

ZINC05882207

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 18 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) 2.82 6.74 -50.3 3 3 1 45 262.402 4
Hi High (pH 8-9.5) 2.82 6.35 -7.38 2 3 0 44 261.394 4
Mid Mid (pH 6-8) 2.82 6.8 -25.67 3 3 1 45 262.402 4
Mid Mid (pH 6-8) 2.82 7.19 -116.42 4 3 2 47 263.41 4

Activity (Go SEA)

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