UCSF

ZINC00626281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 No

Other Names:

MFCD03779063

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) 3.14 1.52 -17.79 1 8 0 98 463.486 9
Mid Mid (pH 6-8) 2.56 1.36 -23.41 0 8 0 95 463.486 9

Activity (Go SEA)

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