UCSF

ZINC35343288

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 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) 2.57 6.46 -38.44 4 4 1 55 287.431 6
Hi High (pH 8-9.5) 2.57 4.21 -6.2 3 4 0 54 286.423 6

Activity (Go SEA)

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