UCSF

ZINC13178946

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 19 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) 1.11 7.56 -54.87 1 4 -1 69 260.313 5
Lo Low (pH 4.5-6) 2.19 3.88 -8.11 2 4 0 70 261.321 5
Lo Low (pH 4.5-6) 1.11 5.59 -11.48 2 4 0 66 261.321 5

Activity (Go SEA)

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