UCSF

ZINC33820466

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 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) 4.89 8.92 -46.21 1 5 -1 79 357.511 17
Lo Low (pH 4.5-6) 4.89 6.94 -8.51 2 5 0 76 358.519 17

Activity (Go SEA)

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