UCSF

ZINC16700982

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 35 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) 3.95 7.8 -63.4 1 8 -1 108 482.553 12
Mid Mid (pH 6-8) 4.39 6.73 -30 2 8 0 106 483.561 11
Mid Mid (pH 6-8) 3.37 7.71 -25.97 1 8 0 102 483.561 12

Activity (Go SEA)

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