UCSF

ZINC33772634

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 No

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) 4.54 14.25 -52.98 0 6 -1 83 489.551 9
Lo Low (pH 4.5-6) 4.54 12.95 -19.43 1 6 0 80 490.559 9

Activity (Go SEA)

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