UCSF

ZINC05713770

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 17 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) 3.02 6 -7.85 1 5 0 75 301.488 3
Mid Mid (pH 6-8) 3.20 4.52 -33.63 0 5 -1 81 300.48 3

Activity (Go SEA)

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