UCSF

ZINC00409085

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Other Names:

MFCD00495894

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) 2.48 5.45 -16.45 1 4 0 62 262.334 2
Hi High (pH 8-9.5) 2.31 5.02 -51.97 0 4 -1 61 261.326 3
Mid Mid (pH 6-8) 2.31 5.45 -11.94 1 4 0 59 262.334 3

Activity (Go SEA)

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