UCSF

ZINC36642162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 21 Yes

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) 2.99 10.03 -50.37 1 4 1 38 304.439 5
Hi High (pH 8-9.5) 2.99 7.57 -10.43 0 4 0 36 303.431 5

Activity (Go SEA)

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