UCSF

ZINC08818142

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 4.77 11.74 -60.53 0 5 -1 73 429.452 4
Mid Mid (pH 6-8) 4.77 11.68 -13.61 1 5 0 71 430.46 4
Mid Mid (pH 6-8) 4.19 11.97 -12.47 0 5 0 67 430.46 4

Activity (Go SEA)

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