UCSF

ZINC21881811

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 36 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) 2.34 10.64 -29.79 2 9 0 115 488.544 10
Hi High (pH 8-9.5) 3.25 9.59 -58.22 1 9 -1 118 487.536 10

Activity (Go SEA)

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