UCSF

ZINC08036752

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 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) 3.72 12.78 -12.69 0 5 0 58 424.566 8
Ref Reference (pH 7) 3.72 12.85 -14.18 0 5 0 58 424.566 8
Ref Reference (pH 7) 3.72 12.78 -12.7 0 5 0 58 424.566 8

Activity (Go SEA)

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