UCSF

ZINC35747801

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 13 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) 0.57 3.36 -33.45 2 4 1 52 190.263 7
Hi High (pH 8-9.5) 0.57 2.41 -6.89 1 4 0 48 189.255 7

Activity (Go SEA)

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