UCSF

ZINC39321013

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 22 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) 3.66 8.04 -47.57 0 5 -1 69 301.366 3
Lo Low (pH 4.5-6) 3.66 8.17 -41.93 1 5 0 71 302.374 3

Activity (Go SEA)

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