UCSF

ZINC37116493

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) 2.10 2.98 -48.91 4 4 1 66 255.725 2
Hi High (pH 8-9.5) 2.10 3.99 -76.3 3 4 0 69 254.717 2

Activity (Go SEA)

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