UCSF

ZINC09424495

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 39 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) 5.01 13.45 -60.04 0 7 -1 88 518.545 7
Mid Mid (pH 6-8) 5.46 12.59 -27.81 1 7 0 85 519.553 6

Activity (Go SEA)

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