UCSF

ZINC01290382

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 28 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) 5.16 10.22 -16.61 1 5 0 66 413.568 4
Mid Mid (pH 6-8) 5.61 8.99 -48.18 0 5 -1 69 412.56 4

Activity (Go SEA)

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