UCSF

ZINC22006391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 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) 1.95 3.35 -26.79 3 4 0 72 254.087 0
Hi High (pH 8-9.5) 2.41 2.89 -42.11 2 4 -1 75 253.079 0

Activity (Go SEA)

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