UCSF

ZINC06415850

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 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) 5.59 8.88 -7.57 2 4 0 54 368.502 8
Hi High (pH 8-9.5) 5.59 9.63 -45.37 1 4 -1 57 367.494 8
Lo Low (pH 4.5-6) 5.59 9.23 -27.7 3 4 1 56 369.51 8

Activity (Go SEA)

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