UCSF

ZINC35250537

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 4.18 9.36 -33.94 1 2 1 28 235.395 3
Hi High (pH 8-9.5) 4.18 7.44 -5.1 0 2 0 27 234.387 3

Activity (Go SEA)

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