UCSF

ZINC20554346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 2.14 3 -48.58 5 5 1 80 312.821 5
Hi High (pH 8-9.5) 2.14 0.73 -14.5 4 5 0 79 311.813 5

Activity (Go SEA)

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