UCSF

ZINC19397945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 1.16 5.9 -38.51 3 4 1 49 265.377 7
Mid Mid (pH 6-8) 1.16 6.26 -142.61 4 4 2 51 266.385 7

Activity (Go SEA)

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