UCSF

ZINC21801076

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.44 4.03 -53.95 4 4 1 74 309.386 5
Hi High (pH 8-9.5) 2.44 4.09 -51.41 3 4 0 76 308.378 5

Activity (Go SEA)

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