UCSF

ZINC04150298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 30 No

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) 4.58 9.91 -31.96 2 6 0 84 425.554 4
Mid Mid (pH 6-8) 5.04 8.55 -61.7 1 6 -1 87 424.546 4

Activity (Go SEA)

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