UCSF

ZINC33887161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 32 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) 7.12 15.98 -26.7 2 5 1 57 448.612 8
Mid Mid (pH 6-8) 7.12 16.04 -18.52 1 5 0 56 447.604 8
Mid Mid (pH 6-8) 7.12 15.89 -29.28 2 5 0 60 448.612 8
Lo Low (pH 4.5-6) 7.12 16.07 -34.74 3 5 0 61 449.62 8

Activity (Go SEA)

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