UCSF

ZINC16857201

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2008 15 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) 1.97 5.49 -10.63 1 3 0 46 200.241 2
Hi High (pH 8-9.5) 2.42 4.43 -42.48 0 3 -1 49 199.233 2

Activity (Go SEA)

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