UCSF

ZINC29559982

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 22 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) -2.65 -4.3 -102.55 10 8 2 157 317.434 12
Hi High (pH 8-9.5) -2.65 -4.63 -54.59 9 8 1 155 316.426 12

Activity (Go SEA)

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