UCSF

ZINC13281563

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 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) 3.74 7.85 -12.76 0 5 0 50 339.391 6
Lo Low (pH 4.5-6) 3.74 8.12 -41.41 1 5 1 51 340.399 6

Activity (Go SEA)

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