UCSF

ZINC36979254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 4.05 11.02 -53.49 2 2 1 40 299.825 5
Hi High (pH 8-9.5) 4.05 10.3 -6.1 1 2 0 36 298.817 5

Activity (Go SEA)

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