UCSF

ZINC03640416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 18 Yes

Other Names:

MFCD01688056

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) 3.94 8.8 -36.45 1 2 1 14 248.39 4
Hi High (pH 8-9.5) 3.94 6.34 -2.98 0 2 0 12 247.382 4

Activity (Go SEA)

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