UCSF

ZINC01290433

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 27 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) 5.69 10.92 -21.17 1 4 0 70 389.505 4
Mid Mid (pH 6-8) 6.15 9.68 -55.42 0 4 -1 73 388.497 4

Activity (Go SEA)

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