UCSF

ZINC34991383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.88 9.71 -38.44 2 4 1 34 287.431 9
Mid Mid (pH 6-8) 1.88 8.96 -50.88 2 4 1 38 287.431 9
Lo Low (pH 4.5-6) 1.88 11.58 -162.63 4 4 3 40 289.447 9

Activity (Go SEA)

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