UCSF

ZINC43498396

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) -0.28 -1.26 -43.66 3 5 1 58 204.294 8
Hi High (pH 8-9.5) -0.28 -2.71 -7.92 2 5 0 54 203.286 8
Hi High (pH 8-9.5) -0.28 -0.46 -36.64 3 5 1 55 204.294 8
Lo Low (pH 4.5-6) -0.28 1 -112.11 4 5 2 59 205.302 8

Activity (Go SEA)

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