UCSF

ZINC21581680

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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) 1.11 7.52 -61.52 1 9 1 104 471.559 6
Hi High (pH 8-9.5) 1.11 5.19 -24.4 0 9 0 103 470.551 6

Activity (Go SEA)

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