UCSF

ZINC13731223

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 3.19 7.7 -10.59 0 5 0 56 388.398 3
Lo Low (pH 4.5-6) 3.19 10.87 -133.98 2 5 2 58 390.414 3

Activity (Go SEA)

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