UCSF

ZINC22919135

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 23 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) 3.86 11.61 -78.78 2 3 2 12 323.569 7
Hi High (pH 8-9.5) 3.86 9.33 -32.2 1 3 1 11 322.561 7

Activity (Go SEA)

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