UCSF

ZINC00337744

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Other Names:

MFCD05863420

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) 2.87 -0.12 -12.68 1 3 0 38 224.263 1
Mid Mid (pH 6-8) 2.87 0.12 -28.5 2 3 1 39 225.271 1

Activity (Go SEA)

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