UCSF

ZINC32005831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 Yes

Other Names:

MFCD11934411

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) -0.47 2.14 -93.3 4 3 2 41 160.261 5
Hi High (pH 8-9.5) -0.47 -0.43 -39.1 3 3 1 40 159.253 5

Activity (Go SEA)

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