UCSF

ZINC45206651

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 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) 3.10 6.1 -34.44 2 2 1 29 221.349 4
Hi High (pH 8-9.5) 3.10 4.67 -6.37 1 2 0 25 220.341 4

Activity (Go SEA)

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