UCSF

ZINC34944354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 2.79 6.06 -44.74 1 8 -1 102 479.553 8
Mid Mid (pH 6-8) 2.79 8.32 -52.07 2 8 0 104 480.561 8
Lo Low (pH 4.5-6) 2.79 7.58 -45.06 3 8 1 101 481.569 8

Activity (Go SEA)

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