UCSF

ZINC34851898

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 No

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) 4.10 16.65 -46.66 2 5 1 38 443.04 10
Mid Mid (pH 6-8) 4.10 16.13 -19.09 1 5 0 36 442.032 10
Lo Low (pH 4.5-6) 4.10 17.61 -57.8 3 5 0 39 444.048 10

Activity (Go SEA)

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