UCSF

ZINC42764761

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.93 8.8 -41.36 1 4 1 41 290.431 9
Hi High (pH 8-9.5) 2.93 6.61 -5.58 0 4 0 40 289.423 9
Lo Low (pH 4.5-6) 2.93 10.64 -120.34 2 4 2 42 291.439 9

Activity (Go SEA)

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