UCSF

ZINC36914857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.03 7.39 -45.18 3 3 1 46 292.443 5
Hi High (pH 8-9.5) 2.03 6.99 -3.31 2 3 0 44 291.435 5

Activity (Go SEA)

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