UCSF

ZINC41472973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.91 9.99 -56.36 2 5 1 55 328.827 5
Hi High (pH 8-9.5) 2.91 7.46 -12.62 1 5 0 54 327.819 5

Activity (Go SEA)

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