UCSF

ZINC09360677

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 35 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) 3.60 8.32 -57.1 0 7 -1 82 481.544 9
Mid Mid (pH 6-8) 4.04 11.4 -53.55 2 7 1 81 483.56 8
Mid Mid (pH 6-8) 3.60 10.67 -69.44 1 7 0 83 482.552 9

Activity (Go SEA)

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