UCSF

ZINC23073068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 28 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) 4.21 8.96 -40.74 2 4 1 37 410.022 7
Mid Mid (pH 6-8) 4.21 9 -39.49 2 4 1 37 410.022 7
Mid Mid (pH 6-8) 4.21 6.7 -4.92 1 4 0 36 409.014 7

Activity (Go SEA)

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