UCSF

ZINC21804322

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.82 11.22 -116.09 3 2 2 21 290.495 5
Hi High (pH 8-9.5) 3.82 9.06 -38.64 2 2 1 20 289.487 5

Activity (Go SEA)

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