UCSF

ZINC08204645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 25 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.11 9.69 -13.3 1 5 0 66 359.495 8
Mid Mid (pH 6-8) 4.57 7.77 -48.06 0 5 -1 69 358.487 8

Activity (Go SEA)

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