UCSF

ZINC44676128

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 2.68 6.64 -127.14 5 2 2 44 232.371 4
Mid Mid (pH 6-8) 2.68 6.4 -38.4 4 2 1 43 231.363 4

Activity (Go SEA)

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