UCSF

ZINC37869935

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.22 1.76 -42.73 4 3 1 60 244.112 3
Mid Mid (pH 6-8) 1.22 0.56 -8.88 3 3 0 55 243.104 3

Activity (Go SEA)

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