UCSF

ZINC22455827

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 2.60 6.03 -36.78 2 3 1 28 289.443 4
Hi High (pH 8-9.5) 2.60 3.77 -4.53 1 3 0 27 288.435 4

Activity (Go SEA)

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