UCSF

ZINC37778630

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.02 6.74 -39.54 2 4 1 44 260.361 6
Mid Mid (pH 6-8) 2.02 5.55 -7.02 1 4 0 39 259.353 6

Activity (Go SEA)

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