UCSF

ZINC19814146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 28 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) 3.15 8.76 -53.25 0 6 -1 74 398.439 3
Lo Low (pH 4.5-6) 2.70 9.84 -15.12 1 6 0 71 399.447 3

Activity (Go SEA)

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