UCSF

ZINC13381989

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 33 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) 5.50 7.38 -14.3 1 8 0 92 460.467 3
Lo Low (pH 4.5-6) 5.50 6.67 -35.35 2 8 1 93 461.475 3
Lo Low (pH 4.5-6) 5.50 7.74 -33.01 2 8 1 93 461.475 3

Activity (Go SEA)

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