UCSF

ZINC37115377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.28 8.31 -54.69 1 5 -1 78 284.291 6
Lo Low (pH 4.5-6) 3.28 6.32 -11.61 2 5 0 76 285.299 6

Activity (Go SEA)

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