UCSF

ZINC13208300

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 16 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) 2.33 5.44 -10.82 0 3 0 50 205.22 0
Lo Low (pH 4.5-6) 2.33 5.7 -37.76 1 3 1 51 206.228 0
Lo Low (pH 4.5-6) 2.33 5.73 -44.25 1 3 1 51 206.228 0
Lo Low (pH 4.5-6) 2.33 5.98 -94.72 2 3 2 52 207.236 0

Activity (Go SEA)

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