UCSF

ZINC58018525

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 28 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) 2.28 4.75 -23.06 2 7 0 74 382.464 6
Lo Low (pH 4.5-6) 2.28 6.91 -50.68 3 7 1 75 383.472 6

Activity (Go SEA)

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