UCSF

ZINC44685203

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.73 7.86 -38.51 2 2 1 20 259.417 6
Lo Low (pH 4.5-6) 2.73 10.19 -112.37 3 2 2 21 260.425 6
Lo Low (pH 4.5-6) 2.73 9.49 -31.93 2 2 1 16 259.417 6

Activity (Go SEA)

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