UCSF

ZINC36322495

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.69 7.29 -59.48 3 5 1 63 366.363 6
Lo Low (pH 4.5-6) 2.69 7.76 -107.29 4 5 2 65 367.371 6

Activity (Go SEA)

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