UCSF

ZINC19814158

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) 3.57 9 -50.04 0 6 -1 74 394.476 3
Lo Low (pH 4.5-6) 3.11 10.07 -12.91 1 6 0 71 395.484 3

Activity (Go SEA)

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