UCSF

ZINC09374699

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 31 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) 5.02 11.57 -38.45 0 5 -1 70 440.947 8
Mid Mid (pH 6-8) 4.43 11.17 -17.34 0 5 0 64 441.955 8
Mid Mid (pH 6-8) 5.46 10.17 -26.5 1 5 0 67 441.955 7

Activity (Go SEA)

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