UCSF

ZINC37095854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.98 4.45 -45.88 3 2 1 31 261.842 6
Hi High (pH 8-9.5) 2.98 3.6 -1.69 2 2 0 29 260.834 6
Lo Low (pH 4.5-6) 2.98 6 -125.21 4 2 2 32 262.85 6

Activity (Go SEA)

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