UCSF

ZINC04172800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 32 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) 6.47 3.41 -16.12 1 5 0 55 433.596 8
Mid Mid (pH 6-8) 6.47 3.62 -27.78 2 5 1 56 434.604 8

Activity (Go SEA)

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