UCSF

ZINC35785000

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 16 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) 2.43 5.95 -45.97 2 2 1 20 227.278 2
Hi High (pH 8-9.5) 2.43 4.64 -6.12 1 2 0 15 226.27 2

Activity (Go SEA)

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