UCSF

ZINC39348777

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 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) 1.42 4.86 -19.06 2 5 0 79 233.223 3
Hi High (pH 8-9.5) 1.42 5.85 -63.42 1 5 -1 82 232.215 3
Hi High (pH 8-9.5) 1.88 3.73 -47.91 1 5 -1 82 232.215 3

Activity (Go SEA)

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