UCSF

ZINC42775574

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) 1.90 7.2 -39.49 1 4 1 38 253.366 8
Hi High (pH 8-9.5) 1.90 6.11 -35 1 4 1 38 253.366 8
Hi High (pH 8-9.5) 1.90 4.51 -6.74 0 4 0 37 252.358 8
Lo Low (pH 4.5-6) 1.90 8.58 -111.25 2 4 2 39 254.374 8

Activity (Go SEA)

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