UCSF

ZINC07356319

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2006 30 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) 3.64 11.89 -43.83 2 6 1 57 411.57 10
Hi High (pH 8-9.5) 3.64 9.9 -16.86 1 6 0 56 410.562 10
Lo Low (pH 4.5-6) 3.64 12.65 -66.04 3 6 0 58 412.578 10

Activity (Go SEA)

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