UCSF

ZINC26123829

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 25 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) 2.78 6.92 -18.55 2 5 0 70 338.407 5
Hi High (pH 8-9.5) 2.78 7.84 -59.18 1 5 -1 72 337.399 5

Activity (Go SEA)

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