UCSF

ZINC39271106

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 0.06 -2.7 -44.28 4 5 -1 100 200.243 2
Mid Mid (pH 6-8) 0.06 -2.87 -11.41 5 5 0 98 201.251 2

Activity (Go SEA)

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