UCSF

ZINC06784148

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 24 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) 4.14 11.86 -24.08 3 6 1 73 326.424 4
Hi High (pH 8-9.5) 4.14 11.31 -15.04 2 6 0 71 325.416 4
Lo Low (pH 4.5-6) 4.14 12.3 -82.38 4 6 2 74 327.432 4

Activity (Go SEA)

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