UCSF

ZINC57911676

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 25 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) -1.04 1.37 -18.18 0 7 0 50 361.437 6
Lo Low (pH 4.5-6) -1.04 3.52 -46.06 1 7 1 52 362.445 6

Activity (Go SEA)

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