UCSF

ZINC21818535

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) 4.13 6.17 -10.22 3 4 0 68 338.219 2
Hi High (pH 8-9.5) 4.20 5.27 -38.58 2 4 -1 74 337.211 2

Activity (Go SEA)

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