UCSF

ZINC08399914

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 46 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) 8.76 -0.2 -20.82 2 2 0 149 604.626 10
Mid Mid (pH 6-8) 8.76 -0.04 -55.02 3 10 1 150 605.634 8
Mid Mid (pH 6-8) 8.76 0.14 -108.45 4 10 2 151 606.642 8

Activity (Go SEA)

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