UCSF

ZINC44694436

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 2.67 4.99 -38.49 2 3 1 35 309.249 8
Mid Mid (pH 6-8) 2.67 3.75 -5.64 1 3 0 30 308.241 8

Activity (Go SEA)

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