UCSF

ZINC40465010

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 24 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) 3.59 9.27 -33.27 2 4 1 39 323.416 4
Mid Mid (pH 6-8) 3.59 6.99 -8.14 1 4 0 37 322.408 4

Activity (Go SEA)

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