UCSF

ZINC00860545

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 26 Yes

Other Names:

MFCD01629806

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) 5.33 -0.2 -15.15 1 4 0 65 406.338 4
Lo Low (pH 4.5-6) 5.33 -0.06 -51.38 2 4 1 67 407.346 4

Activity (Go SEA)

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