UCSF

ZINC20149680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 29 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) 4.04 9.72 -17.62 1 6 0 66 389.503 6
Lo Low (pH 4.5-6) 4.04 12.46 -100.05 3 6 2 68 391.519 6

Activity (Go SEA)

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