UCSF

ZINC31965996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 1.47 4.74 -57.28 2 6 -1 94 264.305 8
Lo Low (pH 4.5-6) 1.47 3.62 -17.78 3 6 0 91 265.313 8

Activity (Go SEA)

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