UCSF

ZINC35216302

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 1.43 3.83 -46.69 0 6 -1 81 331.439 5
Mid Mid (pH 6-8) 1.43 5.99 -69.83 1 6 0 82 332.447 5

Activity (Go SEA)

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