UCSF

ZINC43976144

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.97 5.09 -105.1 3 4 2 40 262.438 11
Hi High (pH 8-9.5) 1.97 3.21 -2.07 1 4 0 34 260.422 11
Mid Mid (pH 6-8) 1.97 4.3 -36.91 2 4 1 38 261.43 11
Mid Mid (pH 6-8) 1.97 5.13 -26.62 2 4 1 35 261.43 11

Activity (Go SEA)

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