UCSF

ZINC43410006

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 4.38 6.46 -46.02 3 3 1 50 303.813 3
Hi High (pH 8-9.5) 4.38 5.99 -6.05 2 3 0 48 302.805 3

Activity (Go SEA)

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