UCSF

ZINC13692718

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 3.48 8.49 -17.48 0 7 0 74 444.487 5
Lo Low (pH 4.5-6) 3.48 8.94 -48.07 1 7 1 75 445.495 5
Lo Low (pH 4.5-6) 3.48 11.74 -117.59 2 7 2 76 446.503 5

Activity (Go SEA)

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