UCSF

ZINC25444795

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 2.82 7.03 -30.26 2 8 0 110 444.538 7
Hi High (pH 8-9.5) 2.82 7.1 -68.04 1 8 -1 112 443.53 7
Hi High (pH 8-9.5) 2.89 6.13 -58.48 1 8 -1 117 443.53 7
Hi High (pH 8-9.5) 2.89 6.2 -113.99 0 8 -2 119 442.522 7

Activity (Go SEA)

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