UCSF

ZINC37809406

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) 0.29 0.8 -46.94 4 4 1 68 201.29 4
Mid Mid (pH 6-8) 0.29 0.66 -9.59 3 4 0 67 200.282 4

Activity (Go SEA)

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