UCSF

ZINC37011412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 3.47 8.76 -45.41 2 5 1 72 307.757 6
Mid Mid (pH 6-8) 3.47 7.35 -8.58 1 5 0 67 306.749 6

Activity (Go SEA)

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