UCSF

ZINC32976242

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 25 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) 5.01 10.84 -14.38 1 4 0 51 372.877 5
Hi High (pH 8-9.5) 5.20 9.75 -41.54 0 4 -1 58 371.869 5

Activity (Go SEA)

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