UCSF

ZINC16741543

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 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) 3.10 10.74 -73.07 1 8 0 93 480.561 10
Hi High (pH 8-9.5) 3.10 8.51 -60.05 0 8 -1 91 479.553 10
Mid Mid (pH 6-8) 3.55 9.58 -59.41 2 8 1 90 481.569 9
Mid Mid (pH 6-8) 2.52 10.61 -63.41 1 8 1 87 481.569 10

Activity (Go SEA)

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