UCSF

ZINC37018332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.82 0.88 -47.25 4 5 1 75 243.67 2
Hi High (pH 8-9.5) 0.82 0.57 -8.92 3 5 0 74 242.662 2

Activity (Go SEA)

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