UCSF

ZINC69248154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) 1.20 1.43 -41.83 4 5 1 75 285.408 5
Hi High (pH 8-9.5) 1.20 0.29 -10.61 3 5 0 71 284.4 5

Activity (Go SEA)

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