UCSF

ZINC21716275

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 0.14 7.59 -56.5 2 8 1 90 360.438 6
Hi High (pH 8-9.5) 0.14 5.22 -22.94 1 8 0 89 359.43 6

Activity (Go SEA)

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