UCSF

ZINC42207329

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 3.07 7.36 -4.79 0 2 0 16 305.219 5
Mid Mid (pH 6-8) 3.07 7.82 -34.43 1 2 1 17 306.227 5

Activity (Go SEA)

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