UCSF

ZINC19926522

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 Yes

Other Names:

MFCD05742251

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) 4.90 10.72 -12.94 1 4 0 49 421.953 4
Mid Mid (pH 6-8) 4.90 12.14 -51.63 2 4 1 50 422.961 4

Activity (Go SEA)

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