UCSF

ZINC42744581

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 0.77 3.98 -112.86 4 4 2 45 259.438 8
Hi High (pH 8-9.5) 0.77 0.9 -48.21 3 4 1 43 258.43 8
Lo Low (pH 4.5-6) 0.77 5.31 -230.08 5 4 3 46 260.446 8

Activity (Go SEA)

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