UCSF

ZINC37269060

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) 3.21 5.63 -40.44 2 3 1 35 325.173 8
Hi High (pH 8-9.5) 3.21 4.25 -5.03 1 3 0 30 324.165 8

Activity (Go SEA)

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