UCSF

ZINC22454895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 33 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) 5.94 14.45 -44.75 2 4 1 33 440.611 8
Mid Mid (pH 6-8) 5.94 13.84 -39.03 2 4 1 33 440.611 8
Mid Mid (pH 6-8) 5.94 12.07 -8.57 1 4 0 32 439.603 8

Activity (Go SEA)

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