UCSF

ZINC60295469

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 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) 4.22 9.47 -100.48 6 6 2 87 515.698 8
Hi High (pH 8-9.5) 4.22 7.32 -49.13 5 6 1 86 514.69 8

Activity (Go SEA)

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