UCSF

ZINC37256273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.41 8.22 -36.43 2 2 1 16 263.43 2
Mid Mid (pH 6-8) 2.41 6.5 -38.73 2 2 1 20 263.43 2

Activity (Go SEA)

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