UCSF

ZINC12362039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 14 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) -4.86 2.13 -66.64 6 6 0 136 240.306 7
Hi High (pH 8-9.5) -4.86 1.5 -91.57 4 6 -2 132 238.29 7
Hi High (pH 8-9.5) -4.86 1.82 -72.1 5 6 -1 134 239.298 7

Activity (Go SEA)

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