UCSF

ZINC20597410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 18 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) 2.39 5.66 -88.04 4 4 2 50 255.406 5
Hi High (pH 8-9.5) 2.39 3.43 -34.76 3 4 1 49 254.398 5

Activity (Go SEA)

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