UCSF

ZINC37992627

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 2.93 7.49 -43.8 2 2 1 29 247.749 4
Hi High (pH 8-9.5) 2.93 6.44 -5 1 2 0 25 246.741 4
Lo Low (pH 4.5-6) 2.93 7.98 -108.57 3 2 2 31 248.757 4

Activity (Go SEA)

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