UCSF

ZINC42879294

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.18 -1.81 -6.62 2 6 0 63 280.324 5
Hi High (pH 8-9.5) 1.18 0.43 -36.35 2 6 0 71 280.324 5
Mid Mid (pH 6-8) 1.18 -0.23 -50.66 3 6 1 68 281.332 5
Lo Low (pH 4.5-6) 1.18 0.45 -41.87 3 6 1 64 281.332 5

Activity (Go SEA)

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