UCSF

ZINC31518313

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 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) 4.92 12.81 -51.74 1 6 1 65 455.619 13
Hi High (pH 8-9.5) 4.92 10.49 -12.58 0 6 0 64 454.611 13

Activity (Go SEA)

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