UCSF

ZINC05687012

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 24 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) 2.82 4.71 -55.62 1 5 -1 78 342.758 4
Mid Mid (pH 6-8) 3.27 -2.52 -12.86 2 5 0 75 343.766 3
Mid Mid (pH 6-8) 2.24 -2.11 -16.15 1 5 0 72 343.766 4

Activity (Go SEA)

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