UCSF

ZINC14454646

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 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) 3.79 9.67 -94.16 1 5 -2 100 300.395 15
Lo Low (pH 4.5-6) 3.79 7.69 -49.78 2 5 -1 98 301.403 15
Lo Low (pH 4.5-6) 3.79 7.69 -49.74 2 5 -1 98 301.403 15
Lo Low (pH 4.5-6) 3.79 7.69 -49.79 2 5 -1 98 301.403 15
Lo Low (pH 4.5-6) 3.79 7.69 -49.74 2 5 -1 98 301.403 15

Activity (Go SEA)

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