UCSF

ZINC21715667

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 3.74 10.34 -14.56 1 4 0 49 373.481 3
Lo Low (pH 4.5-6) 3.74 10.78 -45.11 2 4 1 50 374.489 3

Activity (Go SEA)

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