UCSF

ZINC36222100

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 3.02 7.17 -24.22 3 5 1 63 284.339 3
Mid Mid (pH 6-8) 3.02 6.86 -13.67 2 5 0 62 283.331 3

Activity (Go SEA)

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