UCSF

ZINC22622952

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 27 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) 3.59 8.13 -53.06 3 5 1 63 376.565 10
Hi High (pH 8-9.5) 3.59 6.06 -21.57 2 5 0 61 375.557 10

Activity (Go SEA)

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