UCSF

ZINC37011473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.25 5.47 -41.64 2 6 1 72 266.321 4
Lo Low (pH 4.5-6) 1.25 4.75 -43.83 2 6 1 75 266.321 4

Activity (Go SEA)

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