UCSF

ZINC05408816

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 27 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) 3.06 5.39 -48.34 1 6 -1 88 407.229 5
Mid Mid (pH 6-8) 3.51 -2.35 -14.92 2 6 0 84 408.237 4
Mid Mid (pH 6-8) 2.48 -1.91 -17.85 1 6 0 81 408.237 5

Activity (Go SEA)

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