UCSF

ZINC14680654

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 24 Yes

CAS Number: 14152-28-4

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) 4.57 10.81 -48.66 1 4 -1 77 335.464 13
Lo Low (pH 4.5-6) 4.25 8.79 -11.55 2 4 0 75 336.472 13
Lo Low (pH 4.5-6) 4.57 8.84 -9.45 2 4 0 75 336.472 13

Activity (Go SEA)

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