UCSF

ZINC34881466

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 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) 4.36 10.48 -22.2 1 8 0 94 496.633 11
Hi High (pH 8-9.5) 4.55 9.01 -58.13 0 8 -1 100 495.625 11

Activity (Go SEA)

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