UCSF

ZINC00163647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 23 Yes

Other Names:

MFCD01313920

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) 2.77 8.67 -89.54 2 4 2 35 306.413 2
Lo Low (pH 4.5-6) 2.77 8.95 -165.15 3 4 3 36 307.421 2

Activity (Go SEA)

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