UCSF

ZINC19795679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 18 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) -0.53 5.04 -8.33 2 6 0 92 247.254 3
Lo Low (pH 4.5-6) -0.53 5.34 -53.52 3 6 1 94 248.262 3
Lo Low (pH 4.5-6) -0.53 5.34 -53.17 3 6 1 94 248.262 3

Activity (Go SEA)

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