UCSF

ZINC52273398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) 0.27 0.28 -9.47 5 5 0 94 206.249 3
Lo Low (pH 4.5-6) 0.27 0.62 -32.46 6 5 1 95 207.257 3

Activity (Go SEA)

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