UCSF

ZINC37230916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 1.35 4.62 -11.9 1 7 0 89 250.258 4
Mid Mid (pH 6-8) 1.35 4.74 -36.72 2 7 1 90 251.266 4

Activity (Go SEA)

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