UCSF

ZINC12540600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 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) 3.92 6.96 -18.1 3 5 0 81 362.455 4
Lo Low (pH 4.5-6) 3.92 7.3 -32.43 4 5 1 82 363.463 4
Lo Low (pH 4.5-6) 3.92 4.04 -39.41 4 5 1 82 363.463 4

Activity (Go SEA)

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