UCSF

ZINC00019141

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 16 Yes

Other Names:

MFCD00934057

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) 1.85 5 -43.48 1 4 1 34 218.28 1
Mid Mid (pH 6-8) 1.85 2.65 -7.68 0 4 0 33 217.272 1

Activity (Go SEA)

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