UCSF

ZINC34454763

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 8 Yes

Other Names:

MFCD19228106

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) 0.53 4.87 -47.79 0 2 -1 40 111.12 1
Lo Low (pH 4.5-6) 0.53 2.89 -5.66 1 2 0 37 112.128 1

Activity (Go SEA)

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