UCSF

ZINC60697691

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 17 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) 3.52 7.44 -32.13 2 2 1 26 260.76 7
Hi High (pH 8-9.5) 3.52 5.73 -2.75 1 2 0 21 259.752 7

Activity (Go SEA)

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