UCSF

ZINC33697693

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 28 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) 3.12 9.08 -45.48 0 6 -1 87 376.388 5
Mid Mid (pH 6-8) 3.12 7.95 -18.37 1 6 0 84 377.396 5

Activity (Go SEA)

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