UCSF

ZINC22938130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 17 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) -0.80 2.2 -154.36 7 4 3 63 245.435 8
Hi High (pH 8-9.5) -0.80 0.13 -89.38 6 4 2 62 244.427 8

Activity (Go SEA)

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