UCSF

ZINC37019168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 Yes

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) 1.37 3.5 -108.75 0 7 -2 115 305.695 6
Mid Mid (pH 6-8) 1.37 3.44 -48.14 1 7 -1 113 306.703 6

Activity (Go SEA)

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