UCSF

ZINC28240056

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 26 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) 4.69 6.86 -193.17 8 4 3 75 371.678 8
Hi High (pH 8-9.5) 4.69 6.48 -107.77 7 4 2 74 370.67 8
Hi High (pH 8-9.5) 4.69 5.72 -105.62 7 4 2 71 370.67 8

Activity (Go SEA)

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