UCSF

ZINC09272742

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 30 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) 5.78 12.9 -39.27 0 4 -1 60 461.335 4
Mid Mid (pH 6-8) 5.20 0.5 -18.86 0 4 0 54 462.343 4
Mid Mid (pH 6-8) 6.23 11.55 -26.14 1 4 0 58 462.343 3

Activity (Go SEA)

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