UCSF

ZINC32146134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 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) 2.31 6.06 -34.09 2 3 1 34 291.198 4
Hi High (pH 8-9.5) 2.31 3.72 -7.33 1 3 0 33 290.19 4

Activity (Go SEA)

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