UCSF

ZINC36874755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.03 4.15 -44.59 3 3 1 40 235.351 3
Hi High (pH 8-9.5) 0.03 3.72 -2.94 2 3 0 38 234.343 3
Lo Low (pH 4.5-6) 0.03 5.73 -131.44 4 3 2 41 236.359 3

Activity (Go SEA)

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