UCSF

ZINC32603670

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 21 Yes

Other Names:

MFCD16882818

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) 4.37 5.45 -9.34 1 4 0 55 346.235 5
Mid Mid (pH 6-8) 4.37 5.49 -42.2 0 4 -1 57 345.227 5

Activity (Go SEA)

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