UCSF

ZINC37087946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 3.22 8.42 -29.02 2 3 0 57 255.383 8
Hi High (pH 8-9.5) 3.22 6.91 -43.86 1 3 -1 52 254.375 8

Activity (Go SEA)

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