UCSF

ZINC08025267

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 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) 2.74 9.71 -12.76 1 7 0 86 404.499 5
Lo Low (pH 4.5-6) 2.74 9.97 -41.59 2 7 1 87 405.507 5

Activity (Go SEA)

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