UCSF

ZINC37033816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 No

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) 2.14 1.71 -45.15 4 5 1 83 306.198 3
Hi High (pH 8-9.5) 2.14 1.42 -7.51 3 5 0 81 305.19 3

Activity (Go SEA)

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