UCSF

ZINC19483938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.41 1.14 -39.68 3 4 1 55 201.29 4
Hi High (pH 8-9.5) 0.41 -0.12 -7.5 2 4 0 50 200.282 4

Activity (Go SEA)

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