UCSF

ZINC06786389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 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) 2.32 6.68 -63.27 0 7 -1 92 382.392 9
Mid Mid (pH 6-8) 2.77 1.12 -21.93 1 7 0 89 383.4 8
Mid Mid (pH 6-8) 1.74 1.01 -14.62 0 7 0 86 383.4 9

Activity (Go SEA)

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