UCSF

ZINC32976248

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) 4.51 10.48 -15.32 1 4 0 51 356.422 5
Hi High (pH 8-9.5) 4.70 9.42 -41.38 0 4 -1 58 355.414 5

Activity (Go SEA)

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