UCSF

ZINC35604605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 11 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 0.71 -37.19 3 4 1 63 162.209 6
Mid Mid (pH 6-8) 0.03 -0.54 -7.56 2 4 0 59 161.201 6

Activity (Go SEA)

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