UCSF

ZINC00207907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 25 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) 4.46 9.68 -58.49 2 5 -1 81 337.399 5
Lo Low (pH 4.5-6) 4.46 8.25 -12.06 3 5 0 78 338.407 5

Activity (Go SEA)

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