UCSF

ZINC12405719

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 21 Yes

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) 1.30 -5.67 -12.03 4 7 0 110 293.371 7
Lo Low (pH 4.5-6) 1.30 -5.47 -35.66 5 7 1 111 294.379 7
Lo Low (pH 4.5-6) 1.30 -11.53 -32.65 5 7 1 111 294.379 7

Activity (Go SEA)

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