UCSF

ZINC21292814

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 26 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) 2.59 6.69 -18.48 2 7 0 93 374.466 9
Hi High (pH 8-9.5) 2.41 5.63 -44.11 1 7 -1 100 373.458 9

Activity (Go SEA)

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