UCSF

ZINC00762474

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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) 2.54 11.32 -45.9 1 5 1 39 364.469 3
Mid Mid (pH 6-8) 2.54 8.96 -11.93 0 5 0 38 363.461 3

Activity (Go SEA)

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