UCSF

ZINC26421204

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 22 Yes

Other Names:

MFCD16652871

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) 1.53 3.87 -47.57 3 5 1 58 304.414 6
Lo Low (pH 4.5-6) 1.53 6.23 -124.59 4 5 2 59 305.422 6
Lo Low (pH 4.5-6) 1.53 4.83 -43.2 3 5 1 55 304.414 6

Activity (Go SEA)

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