UCSF

ZINC40503552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 26 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) 2.51 10.42 -100.39 2 6 0 82 361.417 3
Mid Mid (pH 6-8) -1.07 8.66 -82.94 3 6 1 85 362.425 2

Activity (Go SEA)

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