UCSF

ZINC33905734

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 39 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) 2.36 13.9 -54.53 3 8 0 115 527.621 11
Mid Mid (pH 6-8) 2.36 12.07 -50.61 2 8 -1 111 526.613 11
Mid Mid (pH 6-8) 2.36 12.85 -59.91 2 8 -1 111 526.613 11

Activity (Go SEA)

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