UCSF

ZINC36326133

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 1.47 5.8 -44.02 3 3 1 40 277.432 6
Hi High (pH 8-9.5) 1.47 5.39 -2.72 2 3 0 38 276.424 6
Lo Low (pH 4.5-6) 1.47 7.63 -130.04 4 3 2 41 278.44 6

Activity (Go SEA)

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