UCSF

ZINC32751471

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 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) -0.01 -0.16 -57.16 5 7 1 114 342.441 4
Hi High (pH 8-9.5) -0.01 -2.37 -25.87 4 7 0 113 341.433 4

Activity (Go SEA)

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