UCSF

ZINC69927486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 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) 1.98 6.23 -95.25 4 5 2 58 341.521 8
Hi High (pH 8-9.5) 1.98 4.28 -36.74 3 5 1 57 340.513 8
Hi High (pH 8-9.5) 1.98 1.95 -8.77 2 5 0 56 339.505 8

Activity (Go SEA)

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