UCSF

ZINC21797637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) -0.52 1.1 -57.41 4 5 1 83 287.405 8
Hi High (pH 8-9.5) -0.52 0.81 -10.28 3 5 0 81 286.397 8

Activity (Go SEA)

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