UCSF

ZINC36722452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 16 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) -0.78 1.8 -48.45 1 6 -1 93 227.24 4
Ref Reference (pH 7) -0.40 4.35 -52.79 1 6 -1 90 227.24 4

Activity (Go SEA)

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