UCSF

ZINC25151152

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 26 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) 1.25 6.57 -48.69 4 8 1 112 378.478 7
Hi High (pH 8-9.5) 1.25 4.34 -14.12 3 8 0 110 377.47 7

Activity (Go SEA)

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