UCSF

ZINC34946647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 0.72 14.87 -45.91 3 10 1 117 460.518 8
Hi High (pH 8-9.5) 0.79 12.81 -62.13 1 10 -1 122 458.502 8
Mid Mid (pH 6-8) 0.72 14.35 -17.36 2 10 0 116 459.51 8

Activity (Go SEA)

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