UCSF

ZINC43401128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.18 5.89 -34.66 4 4 1 68 247.366 3
Hi High (pH 8-9.5) 1.18 6.96 -7.4 3 4 0 66 246.358 3
Lo Low (pH 4.5-6) 1.18 6.32 -89.37 5 4 2 69 248.374 3

Activity (Go SEA)

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