UCSF

ZINC35153919

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 31 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) 5.00 12.72 -22.01 1 6 0 75 436.581 10
Hi High (pH 8-9.5) 5.18 11.48 -55.27 0 6 -1 82 435.573 10

Activity (Go SEA)

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