UCSF

ZINC04134529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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 8.25 -9.6 2 3 0 35 286.4 6
Ref Reference (pH 7) 3.18 8.38 -10.78 2 3 0 33 286.4 7

Activity (Go SEA)

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