UCSF

ZINC25944201

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 24 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) 3.26 8.11 -13.81 1 6 0 78 345.424 7
Mid Mid (pH 6-8) 3.26 10.37 -59.31 2 6 1 79 346.432 7

Activity (Go SEA)

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