UCSF

ZINC37269786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 0.37 4.48 -40.72 3 5 1 60 252.338 6
Hi High (pH 8-9.5) 0.37 2.24 -11.41 2 5 0 59 251.33 6

Activity (Go SEA)

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