UCSF

ZINC32109694

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 23 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) 3.62 12.14 -37.96 1 3 1 31 318.481 2
Hi High (pH 8-9.5) 3.62 9.94 -7.62 0 3 0 30 317.473 2

Activity (Go SEA)

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