UCSF

ZINC44685557

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 4.43 9.43 -38.15 2 2 1 20 287.471 7
Lo Low (pH 4.5-6) 4.43 11.78 -107.02 3 2 2 21 288.479 7
Lo Low (pH 4.5-6) 4.43 10.73 -31.47 2 2 1 16 287.471 7

Activity (Go SEA)

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