UCSF

ZINC09370837

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 34 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) 4.15 10.27 -45.32 0 7 -1 88 458.49 9
Mid Mid (pH 6-8) 3.57 0.07 -22.62 0 7 0 82 459.498 9
Mid Mid (pH 6-8) 4.60 8.26 -28.66 1 7 0 85 459.498 8

Activity (Go SEA)

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