UCSF

ZINC42948252

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 3.62 7.18 -48.42 3 2 1 37 280.75 4
Hi High (pH 8-9.5) 3.62 6.73 -4.03 2 2 0 35 279.742 4

Activity (Go SEA)

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