UCSF

ZINC12929565

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 20 No

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) 1.76 10.52 -12.63 0 3 0 43 262.312 2
Lo Low (pH 4.5-6) 1.76 10.33 -73.48 2 3 2 45 264.328 2
Lo Low (pH 4.5-6) 1.76 10.24 -24.47 1 3 1 44 263.32 2

Activity (Go SEA)

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