UCSF

ZINC02702059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 20 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) 3.86 7.6 -7.96 1 4 0 50 283.356 2
Ref Reference (pH 7) 3.37 7.61 -39.33 0 4 -1 49 282.348 3

Activity (Go SEA)

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