UCSF

ZINC01515728

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 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) 2.72 10.82 -57.45 1 7 1 62 443.564 9
Hi High (pH 8-9.5) 2.72 8.56 -17.14 0 7 0 60 442.556 9

Activity (Go SEA)

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