UCSF

ZINC32947051

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 28 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) 2.87 6.35 -103.27 3 8 0 106 390.484 9
Hi High (pH 8-9.5) 2.87 4.12 -71.43 2 8 -1 105 389.476 9

Activity (Go SEA)

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