UCSF

ZINC09048791

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 28 No

Download: MOL2 SDF SMILES Flexibase

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) 4.61 8.47 -8.56 1 4 0 54 391.492 5
Hi High (pH 8-9.5) 4.61 9.24 -43.72 0 4 -1 57 390.484 5
Mid Mid (pH 6-8) 4.61 11.56 -30.57 1 4 0 58 391.492 5

Activity (Go SEA)

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