UCSF

ZINC20265456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 No

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) 3.62 10.97 -70.88 1 7 0 87 440.54 12
Lo Low (pH 4.5-6) 3.62 10.14 -45.16 2 7 1 84 441.548 12

Activity (Go SEA)

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