UCSF

ZINC08981075

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 30 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) 3.62 -2.33 -17.39 2 8 0 110 434.514 10
Hi High (pH 8-9.5) 3.62 -1.75 -54 1 8 -1 112 433.506 10

Activity (Go SEA)

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