UCSF

ZINC05200840

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 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) 3.76 11.28 -53.91 2 7 1 83 389.863 4
Mid Mid (pH 6-8) 3.76 8.98 -8.74 1 7 0 81 388.855 4

Activity (Go SEA)

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