UCSF

ZINC33832041

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 38 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) 5.36 8.86 -16.42 4 8 0 134 516.546 4
Hi High (pH 8-9.5) 5.36 9.65 -51.73 3 8 -1 136 515.538 4
Hi High (pH 8-9.5) 5.36 11.18 -51.9 3 8 -1 136 515.538 4

Activity (Go SEA)

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