UCSF

ZINC01821596

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.83 9.63 -17.66 2 8 0 102 478.574 9
Lo Low (pH 4.5-6) 2.83 9.62 -49.49 3 8 1 103 479.582 9

Activity (Go SEA)

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