UCSF

ZINC20147935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 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) 4.19 6.8 -43.95 3 2 1 37 280.75 4
Hi High (pH 8-9.5) 4.19 5.46 -7.14 2 2 0 32 279.742 4
Hi High (pH 8-9.5) 4.19 7.58 -31.5 2 2 0 40 279.742 4

Activity (Go SEA)

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