UCSF

ZINC25146431

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 37 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) 5.00 14.36 -22.95 2 7 0 85 487.563 8
Lo Low (pH 4.5-6) 5.00 15.03 -42.57 3 7 1 86 488.571 8
Lo Low (pH 4.5-6) 5.00 14.85 -54.99 3 7 1 86 488.571 8
Lo Low (pH 4.5-6) 5.00 15.52 -87.54 4 7 2 87 489.579 8

Activity (Go SEA)

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