UCSF

ZINC43454025

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) -1.56 3.11 -48.51 2 6 1 57 271.385 6
Hi High (pH 8-9.5) -1.56 0.89 -17.23 1 6 0 56 270.377 6
Mid Mid (pH 6-8) -1.56 4.42 -109.75 3 6 2 62 272.393 6

Activity (Go SEA)

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