UCSF

ZINC21739054

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 29 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) 1.15 5.85 -28.58 1 11 0 142 436.475 9
Hi High (pH 8-9.5) 1.61 5.75 -43.93 0 11 -1 145 435.467 9

Activity (Go SEA)

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