UCSF

ZINC43413756

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.01 -0.17 -59.38 6 7 0 140 285.344 7
Hi High (pH 8-9.5) 0.01 -0.5 -55.1 5 7 -1 138 284.336 7
Lo Low (pH 4.5-6) 0.01 -2.15 -44.52 7 7 1 137 286.352 7

Activity (Go SEA)

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