UCSF

ZINC19837002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 1.89 2.76 -6.14 1 4 0 50 241.674 1
Mid Mid (pH 6-8) 1.89 3.43 -47.53 0 4 -1 53 240.666 1

Activity (Go SEA)

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