UCSF

ZINC37319139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.85 10.41 -37.08 2 2 1 16 305.511 5
Mid Mid (pH 6-8) 3.85 8.15 -40.16 2 2 1 20 305.511 5

Activity (Go SEA)

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