UCSF

ZINC28955211

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 21 No

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) 1.43 5.92 -24.62 2 5 0 70 288.347 5
Hi High (pH 8-9.5) 1.43 7.16 -68.41 1 5 -1 72 287.339 5

Activity (Go SEA)

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