UCSF

ZINC12601600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 27 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) 3.45 10.47 -14.29 0 4 0 46 373.481 5
Lo Low (pH 4.5-6) 3.45 10.74 -38.07 1 4 1 47 374.489 5

Activity (Go SEA)

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