UCSF

ZINC21881791

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 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) 1.59 8.79 -30.05 2 9 0 115 460.49 8
Hi High (pH 8-9.5) 2.49 7.74 -58.49 1 9 -1 118 459.482 8

Activity (Go SEA)

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