UCSF

ZINC37997462

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 4.71 9.9 -41.79 2 2 1 26 353.255 7
Mid Mid (pH 6-8) 4.71 8.49 -4.66 1 2 0 21 352.247 7

Activity (Go SEA)

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