UCSF

ZINC03115531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 27 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) 3.56 4.83 -18.03 3 7 0 100 454.708 7
Mid Mid (pH 6-8) 3.56 5.6 -53.61 2 7 -1 103 453.7 7

Activity (Go SEA)

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