UCSF

ZINC31934447

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.27 10.09 -65.44 1 5 0 62 335.835 4
Hi High (pH 8-9.5) 3.27 7.74 -51.34 0 5 -1 61 334.827 4
Lo Low (pH 4.5-6) 3.27 10.52 -106.74 2 5 1 63 336.843 4

Activity (Go SEA)

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