UCSF

ZINC41584257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.16 11.44 -40.65 2 5 1 68 381.496 9
Hi High (pH 8-9.5) 5.16 12.07 -23.23 1 5 0 71 380.488 9
Lo Low (pH 4.5-6) 5.16 11.91 -82.64 3 5 2 69 382.504 9

Activity (Go SEA)

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