UCSF

ZINC41664090

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 4.02 9.75 -20.53 0 8 0 95 457.438 4
Lo Low (pH 4.5-6) 4.02 12.59 -51.9 1 8 1 96 458.446 4

Activity (Go SEA)

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