UCSF

ZINC37011425

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) 3.29 9 -49.16 2 5 1 72 287.339 6
Mid Mid (pH 6-8) 3.29 7.61 -7.3 1 5 0 67 286.331 6

Activity (Go SEA)

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