UCSF

ZINC21704380

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 3.72 8.83 -28.9 1 8 0 88 471.97 7
Hi High (pH 8-9.5) 3.54 7.9 -47.31 0 8 -1 94 470.962 7
Lo Low (pH 4.5-6) 3.72 11.18 -67 2 8 1 89 472.978 7

Activity (Go SEA)

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