UCSF

ZINC00734703

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 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) 3.64 12.41 -57.71 1 7 1 65 445.543 9
Hi High (pH 8-9.5) 3.64 9.89 -12.03 0 7 0 64 444.535 9

Activity (Go SEA)

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