UCSF

ZINC59844792

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 12 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) 0.07 1.43 -86.22 5 3 2 44 175.32 5
Hi High (pH 8-9.5) 0.07 -0.56 -41.67 4 3 1 43 174.312 5
Lo Low (pH 4.5-6) 0.07 2.28 -194.81 6 3 3 49 176.328 5

Activity (Go SEA)

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