UCSF

ZINC17968726

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 15 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) 4.15 8.3 -4.93 0 1 0 12 215.683 2
Lo Low (pH 4.5-6) 4.15 7.95 -39.17 1 1 1 14 216.691 2
Lo Low (pH 4.5-6) 4.15 8.66 -33.98 1 1 1 14 216.691 2

Activity (Go SEA)

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