UCSF

ZINC08988318

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 32 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) 5.37 11.87 -61.97 0 6 -1 86 463.922 4
Mid Mid (pH 6-8) 5.37 12.53 -15.41 1 6 0 84 464.93 4
Mid Mid (pH 6-8) 4.79 13.1 -14.77 0 6 0 80 464.93 4

Activity (Go SEA)

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