UCSF

ZINC35752762

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 13 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) -0.10 3.68 -42.24 2 4 0 57 186.255 3
Lo Low (pH 4.5-6) -0.10 4.91 -109.82 3 4 1 61 187.263 3
Lo Low (pH 4.5-6) -0.10 3.12 -67.59 2 4 0 60 186.255 3

Activity (Go SEA)

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