UCSF

ZINC22130287

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 1.10 6.11 -42.33 3 6 1 73 264.305 4
Hi High (pH 8-9.5) 1.10 5.63 -13.7 2 6 0 72 263.297 4

Activity (Go SEA)

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