UCSF

ZINC20474835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 16 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) 1.75 4.57 -38.02 4 3 1 42 226.319 6
Hi High (pH 8-9.5) 1.75 2.27 -4.53 3 3 0 41 225.311 6

Activity (Go SEA)

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