UCSF

ZINC36136821

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 14 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) -0.62 0.29 -41.05 4 4 1 68 201.29 5
Hi High (pH 8-9.5) -0.62 -0.18 -8.21 3 4 0 67 200.282 5

Activity (Go SEA)

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