UCSF

ZINC44834558

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.49 4.72 -53.08 4 5 1 77 329.42 9
Hi High (pH 8-9.5) 1.49 2.29 -14.48 3 5 0 76 328.412 9

Activity (Go SEA)

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