UCSF

ZINC20247317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 Yes

Other Names:

MFCD01882096

MFCD02676152

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) 2.58 6.07 -39.66 2 2 1 20 235.395 2
Mid Mid (pH 6-8) 2.58 6.49 -35.04 2 2 1 16 235.395 2

Activity (Go SEA)

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